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Benzothiadiazole

Organische heterozyklische Verbindungen, die aus einem mit einem Thiadiazolring fusionierten Benzol bestehen; Thiadiazole haben einen fünfgliedrigen Ring, der zwei Stickstoffatome, einen Schwefelatom und zwei Doppelbindungen enthält.

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1

1,2,3-Benzothiadiazol-5-carbonylchlorid, 95 %, Thermo Scientific™

CAS: 321309-32-4 Summenformel: C7H3ClN2OS Molekulargewicht (g/mol): 198.624 InChI-Schlüssel: VOSTUOLSYXVSND-UHFFFAOYSA-N Synonym: 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride PubChem CID: 2735457 IUPAC-Name: 1,2,3-Benzothiadiazol-5-Carbonylchlorid SMILES: C1=CC2=C(C=C1C(=O)Cl)N=NS2

InChI-Schlüssel VOSTUOLSYXVSND-UHFFFAOYSA-N
IUPAC-Name 1,2,3-Benzothiadiazol-5-Carbonylchlorid
PubChem CID 2735457
CAS 321309-32-4
Molekulargewicht (g/mol) 198.624
SMILES C1=CC2=C(C=C1C(=O)Cl)N=NS2
Synonym 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride
Summenformel C7H3ClN2OS
2

2,1,3-Benzothiadiazol-4-carbaldehyd, 95 %, Thermo Scientific™

CAS: 5170-68-3 Summenformel: C7H4N2OS Molekulargewicht (g/mol): 164.182 MDL-Nummer: MFCD02681902 InChI-Schlüssel: ANVJARPTPIVPRC-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carboxaldehyde,tos-bb-1233,2,1,3-benzothiadiazol-4-aldehyde,2,1,3-benzothiadiazole-4-aldehyde,2,1,3-benzothiadiazol-4-carboxaldehyde,benzo c 1,2,5-thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carbaldehyde PubChem CID: 2776283 IUPAC-Name: 2,1,3-Benzothiadiazol-4-Carbaldehyd SMILES: C1=CC2=NSN=C2C(=C1)C=O

InChI-Schlüssel ANVJARPTPIVPRC-UHFFFAOYSA-N
IUPAC-Name 2,1,3-Benzothiadiazol-4-Carbaldehyd
PubChem CID 2776283
CAS 5170-68-3
MDL-Nummer MFCD02681902
Molekulargewicht (g/mol) 164.182
SMILES C1=CC2=NSN=C2C(=C1)C=O
Synonym benzo c 1,2,5 thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carboxaldehyde,tos-bb-1233,2,1,3-benzothiadiazol-4-aldehyde,2,1,3-benzothiadiazole-4-aldehyde,2,1,3-benzothiadiazol-4-carboxaldehyde,benzo c 1,2,5-thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carbaldehyde
Summenformel C7H4N2OS
3

2,1,3-Benzothiadiazol-5-carbaldehyd, 97 %, Thermo Scientific™

CAS: 71605-72-6 Summenformel: C7H4N2OS Molekulargewicht (g/mol): 164.182 MDL-Nummer: MFCD00457949 InChI-Schlüssel: GEFIFDVQYCPLHC-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-5-carbaldehyde,2,1,3-benzothiadiazole-5-carboxaldehyde,benzo 1,2,5 thiadiazole-5-carbaldehyde,5-formyl-2,1,3-benzothiadiazole,5-formylbenzo-2,1,3-thiadiazole,benzo 1,2,5 thiadiazol-5-carbaldehyde,benzo 1,2,5 thiadiazole-5-carboxaldehyde PubChem CID: 2776290 IUPAC-Name: 2,1,3-Benzothiadiazol-5-Carbaldehyd SMILES: C1=CC2=NSN=C2C=C1C=O

InChI-Schlüssel GEFIFDVQYCPLHC-UHFFFAOYSA-N
IUPAC-Name 2,1,3-Benzothiadiazol-5-Carbaldehyd
PubChem CID 2776290
CAS 71605-72-6
MDL-Nummer MFCD00457949
Molekulargewicht (g/mol) 164.182
SMILES C1=CC2=NSN=C2C=C1C=O
Synonym benzo c 1,2,5 thiadiazole-5-carbaldehyde,2,1,3-benzothiadiazole-5-carboxaldehyde,benzo 1,2,5 thiadiazole-5-carbaldehyde,5-formyl-2,1,3-benzothiadiazole,5-formylbenzo-2,1,3-thiadiazole,benzo 1,2,5 thiadiazol-5-carbaldehyde,benzo 1,2,5 thiadiazole-5-carboxaldehyde
Summenformel C7H4N2OS
4

2,1,3-Benzothiadiazol-5-carbonsäure, 97 %, Thermo Scientific™

CAS: 16405-98-4 Summenformel: C7H4N2O2S Molekulargewicht (g/mol): 180.181 MDL-Nummer: MFCD01647555 InChI-Schlüssel: YHMXJZVGBCACMT-UHFFFAOYSA-N PubChem CID: 602011 IUPAC-Name: 2,1,3-Benzothiadiazol-5-Carbonsäure SMILES: C1=CC2=NSN=C2C=C1C(=O)O

InChI-Schlüssel YHMXJZVGBCACMT-UHFFFAOYSA-N
IUPAC-Name 2,1,3-Benzothiadiazol-5-Carbonsäure
PubChem CID 602011
CAS 16405-98-4
MDL-Nummer MFCD01647555
Molekulargewicht (g/mol) 180.181
SMILES C1=CC2=NSN=C2C=C1C(=O)O
Summenformel C7H4N2O2S
5

2,1,3-Benzothiadiazol-4-sulfonylchlorid, 97 %, Thermo Scientific™

CAS: 73713-79-8 Summenformel: C6H3ClN2O2S2 Molekulargewicht (g/mol): 234.67 MDL-Nummer: MFCD00068049 InChI-Schlüssel: CXAICGCTHOWKPP-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-sulfonyl chloride,benzo 2,1,3 thiadiazole-4-sulfonyl chloride,2,1,3-benzothiadiazole-4-sulphonyl chloride,2,1,3-benzothiadiazol-4-sulfonyl chloride,4-chlorosulfonyl-2,1,3-benzothiadiazole,2,1,3-benzothiadiazole, 4-chlorosulfonyl,2,1,3-benzothiadiazole-4-sulfonylchloride,benzo-2,1,3-thiadiazole-4-sulfonyl chloride,2??,1,3-benzothiadiazole-4-sulfonyl chloride,benzo-2,1,3-thiadiazole-4-sulphonyl chloride PubChem CID: 2735459 IUPAC-Name: 2,1,3-Benzothiadiazol-4-Sulfonylchlorid SMILES: ClS(=O)(=O)C1=CC=CC2=NSN=C12

InChI-Schlüssel CXAICGCTHOWKPP-UHFFFAOYSA-N
IUPAC-Name 2,1,3-Benzothiadiazol-4-Sulfonylchlorid
PubChem CID 2735459
CAS 73713-79-8
MDL-Nummer MFCD00068049
Molekulargewicht (g/mol) 234.67
SMILES ClS(=O)(=O)C1=CC=CC2=NSN=C12
Synonym benzo c 1,2,5 thiadiazole-4-sulfonyl chloride,benzo 2,1,3 thiadiazole-4-sulfonyl chloride,2,1,3-benzothiadiazole-4-sulphonyl chloride,2,1,3-benzothiadiazol-4-sulfonyl chloride,4-chlorosulfonyl-2,1,3-benzothiadiazole,2,1,3-benzothiadiazole, 4-chlorosulfonyl,2,1,3-benzothiadiazole-4-sulfonylchloride,benzo-2,1,3-thiadiazole-4-sulfonyl chloride,2??,1,3-benzothiadiazole-4-sulfonyl chloride,benzo-2,1,3-thiadiazole-4-sulphonyl chloride
Summenformel C6H3ClN2O2S2
6

2,1,3-Benzothiadiazol-4-carbonsäure, 97 %, Thermo Scientific™

CAS: 3529-57-5 Summenformel: C7H4N2O2S Molekulargewicht (g/mol): 180.181 MDL-Nummer: MFCD05664666 InChI-Schlüssel: ZGDGZMOKXTUMEV-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-carboxylic acid,4-carboxybenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole-4-carboxylicacid,1,2,3-benzothiadiazole-4-carboxylic acid,benzo 1,2,5 thiadiazole-4-carboxylic acid,benzo c 1,2,5-thiadiazole-4-carboxylic acid,2,1,3-benzothiadiazole-2-siv-4-carboxylic acid,2??,1,3-benzothiadiazole-4-carboxylic acid PubChem CID: 2795202 IUPAC-Name: 2,1,3-Benzothiadiazol-4-Carbonsäure SMILES: C1=CC2=NSN=C2C(=C1)C(=O)O

InChI-Schlüssel ZGDGZMOKXTUMEV-UHFFFAOYSA-N
IUPAC-Name 2,1,3-Benzothiadiazol-4-Carbonsäure
PubChem CID 2795202
CAS 3529-57-5
MDL-Nummer MFCD05664666
Molekulargewicht (g/mol) 180.181
SMILES C1=CC2=NSN=C2C(=C1)C(=O)O
Synonym benzo c 1,2,5 thiadiazole-4-carboxylic acid,4-carboxybenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole-4-carboxylicacid,1,2,3-benzothiadiazole-4-carboxylic acid,benzo 1,2,5 thiadiazole-4-carboxylic acid,benzo c 1,2,5-thiadiazole-4-carboxylic acid,2,1,3-benzothiadiazole-2-siv-4-carboxylic acid,2??,1,3-benzothiadiazole-4-carboxylic acid
Summenformel C7H4N2O2S
7

2,1,3-Benzothiadiazol-5-yl isothiocyanat, 97 %, Thermo Scientific™

CAS: 337508-62-0 Summenformel: C7H3N3S2 Molekulargewicht (g/mol): 193.242 MDL-Nummer: MFCD02681895 InChI-Schlüssel: HHDWFDQYUFKNCO-UHFFFAOYSA-N PubChem CID: 2776292 IUPAC-Name: 5-Isothiocyanato-2,1,3-Benzothiadiazol SMILES: C1=CC2=NSN=C2C=C1N=C=S

InChI-Schlüssel HHDWFDQYUFKNCO-UHFFFAOYSA-N
IUPAC-Name 5-Isothiocyanato-2,1,3-Benzothiadiazol
PubChem CID 2776292
CAS 337508-62-0
MDL-Nummer MFCD02681895
Molekulargewicht (g/mol) 193.242
SMILES C1=CC2=NSN=C2C=C1N=C=S
Summenformel C7H3N3S2
8

2,1,3-Benzothiadiazol, 98%

CAS: 273-13-2 Summenformel: C6H4N2S Molekulargewicht (g/mol): 136.18 InChI-Schlüssel: PDQRQJVPEFGVRK-UHFFFAOYSA-N Synonym: piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole PubChem CID: 67502 IUPAC-Name: 2,1,3-Benzothiadiazol SMILES: C1=CC2=NSN=C2C=C1

InChI-Schlüssel PDQRQJVPEFGVRK-UHFFFAOYSA-N
IUPAC-Name 2,1,3-Benzothiadiazol
PubChem CID 67502
CAS 273-13-2
Molekulargewicht (g/mol) 136.18
SMILES C1=CC2=NSN=C2C=C1
Synonym piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole
Summenformel C6H4N2S
9

5-Chlorbenzo-2,1,3-thiadiazol, 98 %, Thermo Scientific Chemicals

CAS: 2207-32-1 Summenformel: C6H3ClN2S Molekulargewicht (g/mol): 170.61 MDL-Nummer: MFCD00174269 InChI-Schlüssel: VRNJWKISMWDTAY-UHFFFAOYSA-N Synonym: 5-chlorobenzo c 1,2,5 thiadiazole,5-chlorobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole, 5-chloro,5-chlorobenzo c 1,2,5-thiadiazole,acmc-1cipd,maybridge1_004942,5-chloranyl-2,1,3-benzothiadiazole,3-chloro-8-thia-7,9-diazabicyclo 4.3.0 nona-2,4,6,9-tetraene PubChem CID: 284123 IUPAC-Name: 5-Chlor-2,1,3-Benzothiadiazol SMILES: ClC1=CC2=NSN=C2C=C1

InChI-Schlüssel VRNJWKISMWDTAY-UHFFFAOYSA-N
IUPAC-Name 5-Chlor-2,1,3-Benzothiadiazol
PubChem CID 284123
CAS 2207-32-1
MDL-Nummer MFCD00174269
Molekulargewicht (g/mol) 170.61
SMILES ClC1=CC2=NSN=C2C=C1
Synonym 5-chlorobenzo c 1,2,5 thiadiazole,5-chlorobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole, 5-chloro,5-chlorobenzo c 1,2,5-thiadiazole,acmc-1cipd,maybridge1_004942,5-chloranyl-2,1,3-benzothiadiazole,3-chloro-8-thia-7,9-diazabicyclo 4.3.0 nona-2,4,6,9-tetraene
Summenformel C6H3ClN2S
10

5-Brom-2,1,3-benzothiadiazol, 97 %, Thermo Scientific™

CAS: 1753-75-9 Summenformel: C6H3BrN2S Molekulargewicht (g/mol): 215.068 MDL-Nummer: MFCD00460091 InChI-Schlüssel: LLCRUZDFDGTAAN-UHFFFAOYSA-N Synonym: 5-bromobenzo c 1,2,5 thiadiazole,5-bromobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole,5-bromo,5-bromobenzo 1,2,5 thiadiazole,2,1,3-benzothiadiazole, 5-bromo,pubchem12684,acmc-209ea1,amth068,5-bromobenz-2,1,3-thiadiazole,5-bromo-benzo 1,2,5 thiadiazole PubChem CID: 2776295 IUPAC-Name: 5-Brom-2,1,3-Benzothiadiazol SMILES: C1=CC2=NSN=C2C=C1Br

InChI-Schlüssel LLCRUZDFDGTAAN-UHFFFAOYSA-N
IUPAC-Name 5-Brom-2,1,3-Benzothiadiazol
PubChem CID 2776295
CAS 1753-75-9
MDL-Nummer MFCD00460091
Molekulargewicht (g/mol) 215.068
SMILES C1=CC2=NSN=C2C=C1Br
Synonym 5-bromobenzo c 1,2,5 thiadiazole,5-bromobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole,5-bromo,5-bromobenzo 1,2,5 thiadiazole,2,1,3-benzothiadiazole, 5-bromo,pubchem12684,acmc-209ea1,amth068,5-bromobenz-2,1,3-thiadiazole,5-bromo-benzo 1,2,5 thiadiazole
Summenformel C6H3BrN2S
11

4-Brom-2,1,3-benzothiadiazol, 97 %, Thermo Scientific™

CAS: 22034-13-5 Summenformel: C6H3BrN2S Molekulargewicht (g/mol): 215.068 MDL-Nummer: MFCD00614355 InChI-Schlüssel: KYKBVPGDKGABHY-UHFFFAOYSA-N Synonym: 4-bromobenzo c 1,2,5 thiadiazole,4-bromo-benzo 1,2,5 thiadiazole,4-bromobenzo c 1,2,5-thiadiazole,zlchem 1006,4-bromo-benz-2,1,3-thiadiazole,2,1,3-benzothiadiazole,4-bromo PubChem CID: 736492 IUPAC-Name: 4-Brom-2,1,3-Benzothiadiazol SMILES: C1=CC2=NSN=C2C(=C1)Br

InChI-Schlüssel KYKBVPGDKGABHY-UHFFFAOYSA-N
IUPAC-Name 4-Brom-2,1,3-Benzothiadiazol
PubChem CID 736492
CAS 22034-13-5
MDL-Nummer MFCD00614355
Molekulargewicht (g/mol) 215.068
SMILES C1=CC2=NSN=C2C(=C1)Br
Synonym 4-bromobenzo c 1,2,5 thiadiazole,4-bromo-benzo 1,2,5 thiadiazole,4-bromobenzo c 1,2,5-thiadiazole,zlchem 1006,4-bromo-benz-2,1,3-thiadiazole,2,1,3-benzothiadiazole,4-bromo
Summenformel C6H3BrN2S
12

4-Iod-2,1,3-benzothiadiazol, 97 %, Thermo Scientific™

CAS: 352018-95-2 Summenformel: C6H3IN2S Molekulargewicht (g/mol): 262.07 MDL-Nummer: MFCD02681904 InChI-Schlüssel: ROPRWVSWECJQIC-UHFFFAOYSA-N Synonym: 4-iodobenzo c 1,2,5 thiadiazole,2,1,3-benzothiadiazole,4-iodo,4-iodo-benzo 1,2,5 thiadiazole,4-iodanyl-2,1,3-benzothiadiazole,4-iodobenzo c 1,2,5-thiadiazole,4-iodo-2,1,3-benzothiadiazole PubChem CID: 2776287 IUPAC-Name: 4-Iod-2,1,3-Benzothiadiazol SMILES: IC1=CC=CC2=NSN=C12

InChI-Schlüssel ROPRWVSWECJQIC-UHFFFAOYSA-N
IUPAC-Name 4-Iod-2,1,3-Benzothiadiazol
PubChem CID 2776287
CAS 352018-95-2
MDL-Nummer MFCD02681904
Molekulargewicht (g/mol) 262.07
SMILES IC1=CC=CC2=NSN=C12
Synonym 4-iodobenzo c 1,2,5 thiadiazole,2,1,3-benzothiadiazole,4-iodo,4-iodo-benzo 1,2,5 thiadiazole,4-iodanyl-2,1,3-benzothiadiazole,4-iodobenzo c 1,2,5-thiadiazole,4-iodo-2,1,3-benzothiadiazole
Summenformel C6H3IN2S
13

N-(5-Chloro-2,1,3-benzothiadiazol-4-yl)-thiourea, TRC

CAS: 51323-05-8 Summenformel: C7H5ClN4S2 Molekulargewicht (g/mol): 244.72 Synonym: (5-Chloro-2,1,3-benzothiadiazol-4-yl)-thiourea,Tizanidine EP Impurity B IUPAC-Name: (5-chloro-2,1,3-benzothiadiazol-4-yl)thiourea SMILES: NC(=S)Nc1c(Cl)ccc2nsnc12

IUPAC-Name (5-chloro-2,1,3-benzothiadiazol-4-yl)thiourea
CAS 51323-05-8
Molekulargewicht (g/mol) 244.72
SMILES NC(=S)Nc1c(Cl)ccc2nsnc12
Synonym (5-Chloro-2,1,3-benzothiadiazol-4-yl)-thiourea,Tizanidine EP Impurity B
Summenformel C7H5ClN4S2
14

Methyl-1,2,3-benzothiadiazol-5-carboxylat, 97 %, Thermo Scientific™

CAS: 23616-15-1 Summenformel: C8H6N2O2S Molekulargewicht (g/mol): 194.208 MDL-Nummer: MFCD01566550 InChI-Schlüssel: JCRFJMHWEAYQAA-UHFFFAOYSA-N Synonym: methyl benzo d 1,2,3 thiadiazole-5-carboxylate,methyl1,2,3-benzothiadiazole-5-carboxylate,5-carbomethoxy-1,2,3-benzothiadiazole,maybridge1_005151,5-methoxycarbonyl-1,2,3-benzothiadiazole,methyl benzo 1,2,3 thiadiazole-5-carboxylate,methylbenzo d 1,2,3 thiadiazole-5-carboxylate,4-methylbenzo d 1,2,3 thiadiazole-5-carboxylate,1,2,3-benzothiadiazole-5-carboxylic acid methyl ester,1,2,3-benzothiadiazole-5-carboxylicacid, methyl ester PubChem CID: 2736813 IUPAC-Name: Methyl 1,2,3-Benzothiadiazol-5-Carboxylat SMILES: COC(=O)C1=CC2=C(C=C1)SN=N2

InChI-Schlüssel JCRFJMHWEAYQAA-UHFFFAOYSA-N
IUPAC-Name Methyl 1,2,3-Benzothiadiazol-5-Carboxylat
PubChem CID 2736813
CAS 23616-15-1
MDL-Nummer MFCD01566550
Molekulargewicht (g/mol) 194.208
SMILES COC(=O)C1=CC2=C(C=C1)SN=N2
Synonym methyl benzo d 1,2,3 thiadiazole-5-carboxylate,methyl1,2,3-benzothiadiazole-5-carboxylate,5-carbomethoxy-1,2,3-benzothiadiazole,maybridge1_005151,5-methoxycarbonyl-1,2,3-benzothiadiazole,methyl benzo 1,2,3 thiadiazole-5-carboxylate,methylbenzo d 1,2,3 thiadiazole-5-carboxylate,4-methylbenzo d 1,2,3 thiadiazole-5-carboxylate,1,2,3-benzothiadiazole-5-carboxylic acid methyl ester,1,2,3-benzothiadiazole-5-carboxylicacid, methyl ester
Summenformel C8H6N2O2S
15

5-(Brommethyl)-2,1,3-benzothiadiazol, ≥ 95 %

CAS: 65858-50-6 Summenformel: C7H5BrN2S Molekulargewicht (g/mol): 229.095 InChI-Schlüssel: JEPACAAYCVWCFI-UHFFFAOYSA-N PubChem CID: 591004 IUPAC-Name: 5-(Brommethyl)-2,1,3-Benzothiadiazol SMILES: C1=CC2=NSN=C2C=C1CBr

InChI-Schlüssel JEPACAAYCVWCFI-UHFFFAOYSA-N
IUPAC-Name 5-(Brommethyl)-2,1,3-Benzothiadiazol
PubChem CID 591004
CAS 65858-50-6
Molekulargewicht (g/mol) 229.095
SMILES C1=CC2=NSN=C2C=C1CBr
Summenformel C7H5BrN2S