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Thioharnstoffe

Organoschwefelverbindungen, die eine funktionelle Thiocarbonylgruppe haben, die an jeder Seite mit einem Stickstoffatom verbunden ist, wobei jeder Stickstoff mit einem Kohlenstoffatom verbunden ist; sie sind strukturell ähnlich wie Harnstoff, mit der Ausnahme, dass das Sauerstoffatom durch ein Schwefelatom ersetzt ist.

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1

N-(3-Pyridyl)thioharnstoff, ≥ 98 %, Thermo Scientific Chemicals

CAS: 30162-37-9 Summenformel: C6H7N3S Molekulargewicht (g/mol): 153.20 MDL-Nummer: MFCD00014635 InChI-Schlüssel: CFOJQUGXHMGMOT-UHFFFAOYSA-N Synonym: 3-pyridylthiourea,1-3-pyridyl-2-thiourea,1-pyridin-3-yl thiourea,pyridin-3-yl-thiourea,n-3-pyridyl thiourea,n-pyridin-3-ylthiourea,pyridin-3-yl thiourea,1-pyridin-3-ylthiourea,amino 3-pyridylamino methane-1-thione,3-pyridinylthiourea PubChem CID: 2760515 IUPAC-Name: Pyridin-3-ylthioharnstoff SMILES: NC(=S)NC1=CC=CN=C1

InChI-Schlüssel CFOJQUGXHMGMOT-UHFFFAOYSA-N
IUPAC-Name Pyridin-3-ylthioharnstoff
PubChem CID 2760515
CAS 30162-37-9
MDL-Nummer MFCD00014635
Molekulargewicht (g/mol) 153.20
SMILES NC(=S)NC1=CC=CN=C1
Synonym 3-pyridylthiourea,1-3-pyridyl-2-thiourea,1-pyridin-3-yl thiourea,pyridin-3-yl-thiourea,n-3-pyridyl thiourea,n-pyridin-3-ylthiourea,pyridin-3-yl thiourea,1-pyridin-3-ylthiourea,amino 3-pyridylamino methane-1-thione,3-pyridinylthiourea
Summenformel C6H7N3S
2

N-Allyl-N'-(2-Hydroxyethyl)thioharnstoff, 97 %, Thermo Scientific Chemicals

CAS: 105-81-7 Summenformel: C6H12N2OS Molekulargewicht (g/mol): 160.235 MDL-Nummer: MFCD00002838 InChI-Schlüssel: VUVPNTYTOUGMDG-UHFFFAOYSA-N Synonym: 1-allyl-3-2-hydroxyethyl-2-thiourea,1-allyl-3-2-hydroxyethyl thiourea,thiourea, n-2-hydroxyethyl-n'-2-propenyl,n-allyl-n'-2-hydroxyethyl thiourea,n-2-hydroxyethyl-n'-allylthiourea,n-2-hydroxyethyl-n'-2-propenylthiourea,n-allyl-n'-2-hydroxyethylthiourea,urea, 1-allyl-3-2-hydroxyethyl-2-thio,n-allyl-n'-beta-hydroxyethyl thiourea PubChem CID: 2735273 IUPAC-Name: 1-(2-Hydroxyethyl)-3-prop-2-enylthioharnstoff SMILES: C=CCNC(=S)NCCO

InChI-Schlüssel VUVPNTYTOUGMDG-UHFFFAOYSA-N
IUPAC-Name 1-(2-Hydroxyethyl)-3-prop-2-enylthioharnstoff
PubChem CID 2735273
CAS 105-81-7
MDL-Nummer MFCD00002838
Molekulargewicht (g/mol) 160.235
SMILES C=CCNC(=S)NCCO
Synonym 1-allyl-3-2-hydroxyethyl-2-thiourea,1-allyl-3-2-hydroxyethyl thiourea,thiourea, n-2-hydroxyethyl-n'-2-propenyl,n-allyl-n'-2-hydroxyethyl thiourea,n-2-hydroxyethyl-n'-allylthiourea,n-2-hydroxyethyl-n'-2-propenylthiourea,n-allyl-n'-2-hydroxyethylthiourea,urea, 1-allyl-3-2-hydroxyethyl-2-thio,n-allyl-n'-beta-hydroxyethyl thiourea
Summenformel C6H12N2OS
3

2-Thiouracil, 99%, Thermo Scientific Chemicals

CAS: 141-90-2 Summenformel: C4H4N2OS Molekulargewicht (g/mol): 128.15 MDL-Nummer: MFCD00006039 InChI-Schlüssel: ZEMGGZBWXRYJHK-UHFFFAOYSA-N Synonym: 2-thiouracil,thiouracil,4-hydroxy-2-mercaptopyrimidine,antagothyroid,antagothyroil,deracil,nobilen,2-thioxo-2,3-dihydropyrimidin-4 1h-one,2-mercaptopyrimidin-4-ol,2-mercapto-4-hydroxypyrimidine PubChem CID: 1269845 ChEBI: CHEBI:348530 IUPAC-Name: 2-Sulfanyliden-1H-pyrimidin-4-on SMILES: O=C1NC(=S)NC=C1

InChI-Schlüssel ZEMGGZBWXRYJHK-UHFFFAOYSA-N
IUPAC-Name 2-Sulfanyliden-1H-pyrimidin-4-on
PubChem CID 1269845
CAS 141-90-2
ChEBI CHEBI:348530
MDL-Nummer MFCD00006039
Molekulargewicht (g/mol) 128.15
SMILES O=C1NC(=S)NC=C1
Synonym 2-thiouracil,thiouracil,4-hydroxy-2-mercaptopyrimidine,antagothyroid,antagothyroil,deracil,nobilen,2-thioxo-2,3-dihydropyrimidin-4 1h-one,2-mercaptopyrimidin-4-ol,2-mercapto-4-hydroxypyrimidine
Summenformel C4H4N2OS
4

N-Benzoylthioharnstoff, 98 %, Thermo Scientific Chemicals

CAS: 614-23-3 Summenformel: C8H8N2OS Molekulargewicht (g/mol): 180.225 MDL-Nummer: MFCD00041191 InChI-Schlüssel: DQMWMUMCNOJLSI-UHFFFAOYSA-N Synonym: benzoylthiourea,n-benzoylthiourea,1-benzoyl-2-thiourea,necacyl,1-benzoylthiourea,benzamide, n-thiocarbamoyl,urea, 1-benzoyl-2-thio,benzamide, n-aminothioxomethyl,n-aminothioxomethyl benzamide,benzamide, n-aminothioxomethyl-9ci PubChem CID: 2735473 IUPAC-Name: N-carbamothioylbenzamid SMILES: C1=CC=C(C=C1)C(=O)NC(=S)N

InChI-Schlüssel DQMWMUMCNOJLSI-UHFFFAOYSA-N
IUPAC-Name N-carbamothioylbenzamid
PubChem CID 2735473
CAS 614-23-3
MDL-Nummer MFCD00041191
Molekulargewicht (g/mol) 180.225
SMILES C1=CC=C(C=C1)C(=O)NC(=S)N
Synonym benzoylthiourea,n-benzoylthiourea,1-benzoyl-2-thiourea,necacyl,1-benzoylthiourea,benzamide, n-thiocarbamoyl,urea, 1-benzoyl-2-thio,benzamide, n-aminothioxomethyl,n-aminothioxomethyl benzamide,benzamide, n-aminothioxomethyl-9ci
Summenformel C8H8N2OS
5

4-Hydroxy-2-Mercapto-6-Methylpyrimidin, 98 %, Thermo Scientific Chemicals

CAS: 56-04-2 Summenformel: C5H6N2OS Molekulargewicht (g/mol): 142.18 MDL-Nummer: MFCD00006040 InChI-Schlüssel: HWGBHCRJGXAGEU-UHFFFAOYSA-N Synonym: methylthiouracil,6-methyl-2-thiouracil,methiocil,4-hydroxy-2-mercapto-6-methylpyrimidine,thimecil,thiomecil,thiothymin,alkiron,metacil,2-mercapto-6-methylpyrimidin-4-ol PubChem CID: 667493 ChEBI: CHEBI:82346 IUPAC-Name: 6-Methyl-2-sulfanyliden-1H-pyrimidin-4-on SMILES: CC1=CC(=O)NC(=S)N1

InChI-Schlüssel HWGBHCRJGXAGEU-UHFFFAOYSA-N
IUPAC-Name 6-Methyl-2-sulfanyliden-1H-pyrimidin-4-on
PubChem CID 667493
CAS 56-04-2
ChEBI CHEBI:82346
MDL-Nummer MFCD00006040
Molekulargewicht (g/mol) 142.18
SMILES CC1=CC(=O)NC(=S)N1
Synonym methylthiouracil,6-methyl-2-thiouracil,methiocil,4-hydroxy-2-mercapto-6-methylpyrimidine,thimecil,thiomecil,thiothymin,alkiron,metacil,2-mercapto-6-methylpyrimidin-4-ol
Summenformel C5H6N2OS
6

N-(n-Propyl)thioharnstoff, 98 %, Thermo Scientific Chemicals

CAS: 927-67-3 Summenformel: C4H10N2S Molekulargewicht (g/mol): 118.20 MDL-Nummer: MFCD00041195 InChI-Schlüssel: UHGKYJXJYJWDAM-UHFFFAOYSA-N Synonym: n-propylthiourea,1-propyl-2-thiourea,1-propylthiourea,propyl-2-thiourea,thiourea, propyl,thiourea, n-propyl,propyl isothiourea,thiourea,n-propyl,n-n-propyl thiourea,n-prop-2-en-1-ylthioformamide PubChem CID: 1615208 IUPAC-Name: propylthiourea SMILES: CCCNC(N)=S

InChI-Schlüssel UHGKYJXJYJWDAM-UHFFFAOYSA-N
IUPAC-Name propylthiourea
PubChem CID 1615208
CAS 927-67-3
MDL-Nummer MFCD00041195
Molekulargewicht (g/mol) 118.20
SMILES CCCNC(N)=S
Synonym n-propylthiourea,1-propyl-2-thiourea,1-propylthiourea,propyl-2-thiourea,thiourea, propyl,thiourea, n-propyl,propyl isothiourea,thiourea,n-propyl,n-n-propyl thiourea,n-prop-2-en-1-ylthioformamide
Summenformel C4H10N2S
7

6-Methyl-2-Thiouracil, 98 %, Thermo Scientific Chemicals

CAS: 56-04-2 Summenformel: C5H6N2OS Molekulargewicht (g/mol): 142.18 MDL-Nummer: MFCD00006040 InChI-Schlüssel: HWGBHCRJGXAGEU-UHFFFAOYSA-N Synonym: methylthiouracil,6-methyl-2-thiouracil,methiocil,4-hydroxy-2-mercapto-6-methylpyrimidine,thimecil,thiomecil,thiothymin,alkiron,metacil,2-mercapto-6-methylpyrimidin-4-ol PubChem CID: 667493 ChEBI: CHEBI:82346 IUPAC-Name: 6-Methyl-2-sulfanyliden-1H-pyrimidin-4-on SMILES: CC1=CC(=O)NC(=S)N1

InChI-Schlüssel HWGBHCRJGXAGEU-UHFFFAOYSA-N
IUPAC-Name 6-Methyl-2-sulfanyliden-1H-pyrimidin-4-on
PubChem CID 667493
CAS 56-04-2
ChEBI CHEBI:82346
MDL-Nummer MFCD00006040
Molekulargewicht (g/mol) 142.18
SMILES CC1=CC(=O)NC(=S)N1
Synonym methylthiouracil,6-methyl-2-thiouracil,methiocil,4-hydroxy-2-mercapto-6-methylpyrimidine,thimecil,thiomecil,thiothymin,alkiron,metacil,2-mercapto-6-methylpyrimidin-4-ol
Summenformel C5H6N2OS
8

N-Methylthioharnstoff, 97 %, Thermo Scientific Chemicals

CAS: 598-52-7 Summenformel: C2H6N2S Molekulargewicht (g/mol): 90.14 MDL-Nummer: MFCD00004938 InChI-Schlüssel: KQJQICVXLJTWQD-UHFFFAOYSA-N Synonym: n-methylthiourea,1-methylthiourea,1-methyl-2-thiourea,methylthiocarbamide,thiourea, methyl,monomethylthiourea,1-methylthiocarbamide,methyl thiourea,n-methylthiocarbamide,urea, 1-methyl-2-thio PubChem CID: 2723704 IUPAC-Name: Methylthioharnstoff SMILES: CNC(=S)N

InChI-Schlüssel KQJQICVXLJTWQD-UHFFFAOYSA-N
IUPAC-Name Methylthioharnstoff
PubChem CID 2723704
CAS 598-52-7
MDL-Nummer MFCD00004938
Molekulargewicht (g/mol) 90.14
SMILES CNC(=S)N
Synonym n-methylthiourea,1-methylthiourea,1-methyl-2-thiourea,methylthiocarbamide,thiourea, methyl,monomethylthiourea,1-methylthiocarbamide,methyl thiourea,n-methylthiocarbamide,urea, 1-methyl-2-thio
Summenformel C2H6N2S
9

N-(3-Bromo-2-Pyridyl)thioharnstoff, 97 %, Thermo Scientific™

CAS: 1677674-91-7 Summenformel: C6H6BrN3S Molekulargewicht (g/mol): 232.10 MDL-Nummer: MFCD22380708 InChI-Schlüssel: SUOYECWBRSLLQQ-UHFFFAOYSA-N Synonym: n-3-bromo-2-pyridyl thiourea PubChem CID: 18615598 IUPAC-Name: (3-bromopyridin-2-yl)thiourea SMILES: NC(=S)NC1=C(Br)C=CC=N1

InChI-Schlüssel SUOYECWBRSLLQQ-UHFFFAOYSA-N
IUPAC-Name (3-bromopyridin-2-yl)thiourea
PubChem CID 18615598
CAS 1677674-91-7
MDL-Nummer MFCD22380708
Molekulargewicht (g/mol) 232.10
SMILES NC(=S)NC1=C(Br)C=CC=N1
Synonym n-3-bromo-2-pyridyl thiourea
Summenformel C6H6BrN3S
10

N-(3-Chlor-5-Trifluormethyl-2-Pyridyl)thioharnstoff, 97 %, Thermo Scientific™

CAS: 321430-48-2 Summenformel: C7H5ClF3N3S Molekulargewicht (g/mol): 255.64 MDL-Nummer: MFCD00141984 InChI-Schlüssel: UDCNEYAYOVFLLX-UHFFFAOYSA-N Synonym: n-3-chloro-5-trifluoromethyl-2-pyridinyl thiourea,3-chloro-5-trifluoromethyl pyridin-2-yl thiourea,n-3-chloro-5-trifluoromethyl-2-pyridyl thiourea,3-chloro-5-trifluoromethyl pyridin-2-ylthiourea,3-chloro-5-trifluoromethyl-2-pyridyl thiourea,3-chloro-5-trifluoromethyl-pyridin-2-yl-thiourea,3-chloro-5-trifluoromethyl-2-pyridinyl thiourea,1-3-chloranyl-5-trifluoromethyl pyridin-2-yl thiourea PubChem CID: 1483750 IUPAC-Name: [3-Chlor-5-(trifluormethyl)pyridin-2-yl]thioharnstoff SMILES: NC(=S)NC1=C(Cl)C=C(C=N1)C(F)(F)F

InChI-Schlüssel UDCNEYAYOVFLLX-UHFFFAOYSA-N
IUPAC-Name [3-Chlor-5-(trifluormethyl)pyridin-2-yl]thioharnstoff
PubChem CID 1483750
CAS 321430-48-2
MDL-Nummer MFCD00141984
Molekulargewicht (g/mol) 255.64
SMILES NC(=S)NC1=C(Cl)C=C(C=N1)C(F)(F)F
Synonym n-3-chloro-5-trifluoromethyl-2-pyridinyl thiourea,3-chloro-5-trifluoromethyl pyridin-2-yl thiourea,n-3-chloro-5-trifluoromethyl-2-pyridyl thiourea,3-chloro-5-trifluoromethyl pyridin-2-ylthiourea,3-chloro-5-trifluoromethyl-2-pyridyl thiourea,3-chloro-5-trifluoromethyl-pyridin-2-yl-thiourea,3-chloro-5-trifluoromethyl-2-pyridinyl thiourea,1-3-chloranyl-5-trifluoromethyl pyridin-2-yl thiourea
Summenformel C7H5ClF3N3S
11

2-Mercapto-7-Methyl-3-Phenyl-5,6,7,8-Tetrahydrobenzo[b]thieno[2,3-d]pyrimidin-4(3H)-on, 96 %, Thermo Scientific™

CAS: 299919-85-0 Summenformel: C17H16N2OS2 Molekulargewicht (g/mol): 328.448 MDL-Nummer: MFCD01896130 InChI-Schlüssel: IVSIHDBMSUYSAH-UHFFFAOYSA-N Synonym: 2-mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3h-benzo 4,5 thieno 2,3-d pyrimidin-4-one,2-mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzo 4,5 thieno 2,3-d pyrimidin-4 3h-one,7-methyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,2-mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,7-methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro 1 benzothieno 2,3-d pyrimidin-4 1h-one,1 benzothieno 2,3-d pyrimidin-4 1h-one,2,3,5,6,7,8-hexahydro-7-methyl-3-phenyl-2-thioxo,11-methyl-4-phenyl-5-sulfanylidene-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7-dien-3-one,2-mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzo b thieno 2,3-d pyrimidin-4 3h-one,7-methyl-3-phenyl-2-thioxo-1,3,5,6,7,8-hexahydrobenzo b thiopheno 2,3-d pyrimi din-4-one,1 benzothieno 2,3-d pyrimidin-4 3h-one, 5,6,7,8-tetrahydro-2-mercapto-7-methyl-3-phenyl PubChem CID: 2814607 IUPAC-Name: 7-Methyl-3-phenyl-2-sulfanyliden-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-on SMILES: CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4

InChI-Schlüssel IVSIHDBMSUYSAH-UHFFFAOYSA-N
IUPAC-Name 7-Methyl-3-phenyl-2-sulfanyliden-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-on
PubChem CID 2814607
CAS 299919-85-0
MDL-Nummer MFCD01896130
Molekulargewicht (g/mol) 328.448
SMILES CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4
Synonym 2-mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro-3h-benzo 4,5 thieno 2,3-d pyrimidin-4-one,2-mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzo 4,5 thieno 2,3-d pyrimidin-4 3h-one,7-methyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,2-mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,7-methyl-3-phenyl-2-thioxo-2,3,5,6,7,8-hexahydro 1 benzothieno 2,3-d pyrimidin-4 1h-one,1 benzothieno 2,3-d pyrimidin-4 1h-one,2,3,5,6,7,8-hexahydro-7-methyl-3-phenyl-2-thioxo,11-methyl-4-phenyl-5-sulfanylidene-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7-dien-3-one,2-mercapto-7-methyl-3-phenyl-5,6,7,8-tetrahydrobenzo b thieno 2,3-d pyrimidin-4 3h-one,7-methyl-3-phenyl-2-thioxo-1,3,5,6,7,8-hexahydrobenzo b thiopheno 2,3-d pyrimi din-4-one,1 benzothieno 2,3-d pyrimidin-4 3h-one, 5,6,7,8-tetrahydro-2-mercapto-7-methyl-3-phenyl
Summenformel C17H16N2OS2
12

3-Allyl-2-Mercapto-3,4,5,6,7,8-Hexahydrobenzo[4,5]thieno[2,3-b]pyrimidin-4-on, 96%, Thermo Scientific™

CAS: 42062-91-9 Summenformel: C13H14N2OS2 Molekulargewicht (g/mol): 278.39 MDL-Nummer: MFCD01465989 InChI-Schlüssel: ZDHGJHRONIXYAM-UHFFFAOYSA-N Synonym: 3-allyl-2-mercapto-5,6,7,8-tetrahydro-3h-benzo 4,5 thieno 2,3-d pyrimidin-4-one,3-allyl-2-mercapto-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,3-allyl-2-sulfanyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,3-prop-2-en-1-yl-2-sulfanyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,3-allyl-2-mercapto-5,6,7,8-tetrahydrobenzo 4,5 thieno 2,3-d pyrimidin-4 3h-one,3-prop-2-en-1-yl-2-thioxo-2,3,5,6,7,8-hexahydro 1 benzothieno 2,3-d pyrimidin-4 1h-one,4-prop-2-en-1-yl-5-sulfanyl-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,5-trien-3-one,4-prop-2-en-1-yl-5-sulfanylidene-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7-dien-3-one,regid_for_cid_812443,3-allyl-2-mercapto-3,4,5,6,7,8-hexahydrobenzo 4,5 thieno 2,3-b pyrimidin-4-one PubChem CID: 812443 IUPAC-Name: 4-(prop-2-en-1-yl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7)-dien-3-one SMILES: C=CCN1C(=S)NC2=C(C3=C(CCCC3)S2)C1=O

InChI-Schlüssel ZDHGJHRONIXYAM-UHFFFAOYSA-N
IUPAC-Name 4-(prop-2-en-1-yl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7)-dien-3-one
PubChem CID 812443
CAS 42062-91-9
MDL-Nummer MFCD01465989
Molekulargewicht (g/mol) 278.39
SMILES C=CCN1C(=S)NC2=C(C3=C(CCCC3)S2)C1=O
Synonym 3-allyl-2-mercapto-5,6,7,8-tetrahydro-3h-benzo 4,5 thieno 2,3-d pyrimidin-4-one,3-allyl-2-mercapto-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,3-allyl-2-sulfanyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,3-prop-2-en-1-yl-2-sulfanyl-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidin-4 3h-one,3-allyl-2-mercapto-5,6,7,8-tetrahydrobenzo 4,5 thieno 2,3-d pyrimidin-4 3h-one,3-prop-2-en-1-yl-2-thioxo-2,3,5,6,7,8-hexahydro 1 benzothieno 2,3-d pyrimidin-4 1h-one,4-prop-2-en-1-yl-5-sulfanyl-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,5-trien-3-one,4-prop-2-en-1-yl-5-sulfanylidene-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7-dien-3-one,regid_for_cid_812443,3-allyl-2-mercapto-3,4,5,6,7,8-hexahydrobenzo 4,5 thieno 2,3-b pyrimidin-4-one
Summenformel C13H14N2OS2
13

3-Allyl-5,6-Dimethyl-2-Thioxo-2,3-Dihydrothieno[2,3-d]pyrimidin-4(1 H)-on, 96 %, Thermo Scientific™

CAS: 51486-16-9 Summenformel: C11H12N2OS2 Molekulargewicht (g/mol): 252.35 MDL-Nummer: MFCD01911592 InChI-Schlüssel: UIDZXXIBHNLIGD-UHFFFAOYSA-N Synonym: 3-allyl-2-mercapto-5,6-dimethyl-3h-thieno 2,3-d pyrimidin-4-one,3-allyl-5,6-dimethyl-2-thioxo-2,3-dihydrothieno 2,3-d pyrimidin-4 1h-one,5,6-dimethyl-3-prop-2-en-1-yl-2-sulfanyl-3h,4h-thieno 2,3-d pyrimidin-4-one,3-allyl-2-mercapto-5,6-dimethylthieno 2,3-d pyrimidin-4 3h-one,thieno 2,3-d pyrimidin-4 1h-one,2,3-dihydro-5,6-dimethyl-3-2-propen-1-yl-2-thioxo,5,6-dimethyl-3-prop-2-en-1-yl-2-sulfanylidene-1h-thieno 2,3-d pyrimidin-4-one,5,6-dimethyl-3-prop-2-en-1-yl-2-sulfanylthieno 2,3-d pyrimidin-4-one,5,6-dimethyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno 2,3-d pyrimidin-4-one,3-allyl-2-mercapto-5,6-dimethyl-4-oxo-3,4-dihydrothieno 2,3-d pyrimidine PubChem CID: 722257 IUPAC-Name: 5,6-Dimethyl-3-prop-2-enyl-2-sulfanyliden-1H-thieno[2,3-d]pyrimidin-4-on SMILES: CC1=C(C)C2=C(NC(=S)N(CC=C)C2=O)S1

InChI-Schlüssel UIDZXXIBHNLIGD-UHFFFAOYSA-N
IUPAC-Name 5,6-Dimethyl-3-prop-2-enyl-2-sulfanyliden-1H-thieno[2,3-d]pyrimidin-4-on
PubChem CID 722257
CAS 51486-16-9
MDL-Nummer MFCD01911592
Molekulargewicht (g/mol) 252.35
SMILES CC1=C(C)C2=C(NC(=S)N(CC=C)C2=O)S1
Synonym 3-allyl-2-mercapto-5,6-dimethyl-3h-thieno 2,3-d pyrimidin-4-one,3-allyl-5,6-dimethyl-2-thioxo-2,3-dihydrothieno 2,3-d pyrimidin-4 1h-one,5,6-dimethyl-3-prop-2-en-1-yl-2-sulfanyl-3h,4h-thieno 2,3-d pyrimidin-4-one,3-allyl-2-mercapto-5,6-dimethylthieno 2,3-d pyrimidin-4 3h-one,thieno 2,3-d pyrimidin-4 1h-one,2,3-dihydro-5,6-dimethyl-3-2-propen-1-yl-2-thioxo,5,6-dimethyl-3-prop-2-en-1-yl-2-sulfanylidene-1h-thieno 2,3-d pyrimidin-4-one,5,6-dimethyl-3-prop-2-en-1-yl-2-sulfanylthieno 2,3-d pyrimidin-4-one,5,6-dimethyl-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno 2,3-d pyrimidin-4-one,3-allyl-2-mercapto-5,6-dimethyl-4-oxo-3,4-dihydrothieno 2,3-d pyrimidine
Summenformel C11H12N2OS2
14

2-Mercapto-3-Phenyl-3,5,6,7-Tetrahydro-4H-Cyclopenta[b]thieno[2,3-d]pyrimidin-4-on, 96 %, Thermo Scientific™

CAS: 300557-77-1 Summenformel: C15H12N2OS2 Molekulargewicht (g/mol): 300.39 MDL-Nummer: MFCD01018198 InChI-Schlüssel: LLFBYHAEKFMVIS-UHFFFAOYSA-N Synonym: 2-mercapto-3-phenyl-3,5,6,7-tetrahydro-4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,6-mercapto-5-phenyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta a inden-4-one,2-mercapto-3-phenyl-6,7-dihydro-3h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4 5h-one,3-phenyl-2-sulfanyl-3,5,6,7-tetrahydro-4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,1,2,3,5,6,7-hexahydro-3-phenyl-2-thioxo,11-phenyl-10-sulfanyl-7-thia-9,11-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,2 6 ,9-trien-12-one,11-phenyl-10-sulfanylidene-7-thia-9,11-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,2 6-dien-12-one,cbmicro_017927,1,2,3,4-tetrahydro-2-thioxo-3-phenyl-5,6-propanothieno 2,3-d pyrimidine-4-one,1,2,6,7-tetrahydro-3-phenyl-2-thioxo-5h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4 3h-one PubChem CID: 743434 SMILES: O=C1N(C(=S)NC2=C1C1=C(CCC1)S2)C1=CC=CC=C1

InChI-Schlüssel LLFBYHAEKFMVIS-UHFFFAOYSA-N
PubChem CID 743434
CAS 300557-77-1
MDL-Nummer MFCD01018198
Molekulargewicht (g/mol) 300.39
SMILES O=C1N(C(=S)NC2=C1C1=C(CCC1)S2)C1=CC=CC=C1
Synonym 2-mercapto-3-phenyl-3,5,6,7-tetrahydro-4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,6-mercapto-5-phenyl-1,2,3,5-tetrahydro-8-thia-5,7-diaza-cyclopenta a inden-4-one,2-mercapto-3-phenyl-6,7-dihydro-3h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4 5h-one,3-phenyl-2-sulfanyl-3,5,6,7-tetrahydro-4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,1,2,3,5,6,7-hexahydro-3-phenyl-2-thioxo,11-phenyl-10-sulfanyl-7-thia-9,11-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,2 6 ,9-trien-12-one,11-phenyl-10-sulfanylidene-7-thia-9,11-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,2 6-dien-12-one,cbmicro_017927,1,2,3,4-tetrahydro-2-thioxo-3-phenyl-5,6-propanothieno 2,3-d pyrimidine-4-one,1,2,6,7-tetrahydro-3-phenyl-2-thioxo-5h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4 3h-one
Summenformel C15H12N2OS2
15

3-Allyl-2-Mercapto-3,5,6,7-Tetrahydro-4H-Cyclopenta[4,5 ]Thieno[2,3-d]Pyrimidin-4-one, 96 %, Thermo Scientific™

CAS: 113520-01-7 Summenformel: C12H12N2OS2 Molekulargewicht (g/mol): 264.36 MDL-Nummer: MFCD00484384 InChI-Schlüssel: SRKGQOMPUYHFAP-UHFFFAOYSA-N Synonym: 3-allyl-2-mercapto-3,5,6,7-tetrahydro-4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,1,2,3,5,6,7-hexahydro-3-2-propen-1-yl-2-thioxo,3-allyl-2-mercapto-6,7-dihydro-3h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4 5h-one,5-allyl-6-thioxo-1,2,3,5,6,7-hexahydro-8-thia-5,7-diaza-cyclopenta a inden-4-one,3-prop-2-en-1-yl-2-sulfanyl-3,5,6,7-tetrahydro-4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,11-prop-2-en-1-yl-10-sulfanyl-7-thia-9,11-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,2 6 ,9-trien-12-one,11-prop-2-en-1-yl-10-sulfanylidene-7-thia-9,11-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,2 6-dien-12-one,acmc-20e9no,1,2,3,4-tetrahydro-2-thioxo-3-allyl-5,6-propanothieno 2,3-d pyrimidine-4-one,2-allyl-3-thioxo-4,6,7,8-tetrahydrocyclopenta 2,3 thieno 2,4-b pyrimidin-1-one PubChem CID: 823238 IUPAC-Name: 11-(prop-2-en-1-yl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6)-dien-12-one SMILES: C=CCN1C(=S)NC2=C(C3=C(CCC3)S2)C1=O

InChI-Schlüssel SRKGQOMPUYHFAP-UHFFFAOYSA-N
IUPAC-Name 11-(prop-2-en-1-yl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6)-dien-12-one
PubChem CID 823238
CAS 113520-01-7
MDL-Nummer MFCD00484384
Molekulargewicht (g/mol) 264.36
SMILES C=CCN1C(=S)NC2=C(C3=C(CCC3)S2)C1=O
Synonym 3-allyl-2-mercapto-3,5,6,7-tetrahydro-4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,1,2,3,5,6,7-hexahydro-3-2-propen-1-yl-2-thioxo,3-allyl-2-mercapto-6,7-dihydro-3h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4 5h-one,5-allyl-6-thioxo-1,2,3,5,6,7-hexahydro-8-thia-5,7-diaza-cyclopenta a inden-4-one,3-prop-2-en-1-yl-2-sulfanyl-3,5,6,7-tetrahydro-4h-cyclopenta 4,5 thieno 2,3-d pyrimidin-4-one,11-prop-2-en-1-yl-10-sulfanyl-7-thia-9,11-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,2 6 ,9-trien-12-one,11-prop-2-en-1-yl-10-sulfanylidene-7-thia-9,11-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,2 6-dien-12-one,acmc-20e9no,1,2,3,4-tetrahydro-2-thioxo-3-allyl-5,6-propanothieno 2,3-d pyrimidine-4-one,2-allyl-3-thioxo-4,6,7,8-tetrahydrocyclopenta 2,3 thieno 2,4-b pyrimidin-1-one
Summenformel C12H12N2OS2