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Sulfanylbenzoesäuren und Derivate

Organische Verbindungen, die aus Benzoesäure mit einer Sulfanylgruppe bestehen; eine Sulfanylgruppe ist ein Schwefelatom, das über eine Einzelbindung mit einem Wasserstoffatom verbunden ist. Dazu gehören Verbindungen, die direkt aus Sulfanylbenzoesäure gewonnen werden.

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1

3-(Methylthio)benzoesäure, 97 %, Thermo Scientific Chemicals

CAS: 825-99-0 Summenformel: C8H8O2S Molekulargewicht (g/mol): 168.21 MDL-Nummer: MFCD00156993 InChI-Schlüssel: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC-Name: 3-methylsulfanylbenzoesäure SMILES: CSC1=CC=CC(=C1)C(=O)O

InChI-Schlüssel PZGADOOBMVLBJE-UHFFFAOYSA-N
IUPAC-Name 3-methylsulfanylbenzoesäure
PubChem CID 220329
CAS 825-99-0
MDL-Nummer MFCD00156993
Molekulargewicht (g/mol) 168.21
SMILES CSC1=CC=CC(=C1)C(=O)O
Synonym 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679
Summenformel C8H8O2S
2

3-(Trifluormethylthio)Benzoesäure, 97 %, Thermo Scientific Chemicals

CAS: 946-65-6 Summenformel: C8H4F3O2S Molekulargewicht (g/mol): 221.17 MDL-Nummer: MFCD00236337 InChI-Schlüssel: IVGAPIVNQABETQ-UHFFFAOYSA-M Synonym: 3-trifluoromethylthio benzoic acid,3-trifluoromethyl thio benzoic acid,3-trifluoromethyl sulfanyl benzoic acid,3-trifluoromethylsulfanyl benzoic acid,3-trifluoromethylsulfanyl-benzoic acid,benzoic acid, 3-trifluoromethyl thio,3-trifluoromethyl sulphanyl benzoic acid,3-trifluoromethylthio benzoicacid,3-carboxyphenyl trifluoromethyl sulphide PubChem CID: 688330 IUPAC-Name: 3-[(trifluoromethyl)sulfanyl]benzoate SMILES: [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1

InChI-Schlüssel IVGAPIVNQABETQ-UHFFFAOYSA-M
IUPAC-Name 3-[(trifluoromethyl)sulfanyl]benzoate
PubChem CID 688330
CAS 946-65-6
MDL-Nummer MFCD00236337
Molekulargewicht (g/mol) 221.17
SMILES [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1
Synonym 3-trifluoromethylthio benzoic acid,3-trifluoromethyl thio benzoic acid,3-trifluoromethyl sulfanyl benzoic acid,3-trifluoromethylsulfanyl benzoic acid,3-trifluoromethylsulfanyl-benzoic acid,benzoic acid, 3-trifluoromethyl thio,3-trifluoromethyl sulphanyl benzoic acid,3-trifluoromethylthio benzoicacid,3-carboxyphenyl trifluoromethyl sulphide
Summenformel C8H4F3O2S
3

Methylthiosalicylat, 97 %, Thermo Scientific Chemicals

CAS: 4892-02-8 MDL-Nummer: MFCD00060678

CAS 4892-02-8
MDL-Nummer MFCD00060678
4
Sonderaktionen verfügbar

1,1-Bromdiphenylether, 97 %, Thermo Scientific Chemicals

CAS: 4885-02-3 Summenformel: C2H4Cl2O Molekulargewicht (g/mol): 114.96 MDL-Nummer: MFCD00000828 InChI-Schlüssel: GRTGGSXWHGKRSB-UHFFFAOYSA-N SMILES: COC(Cl)Cl

InChI-Schlüssel GRTGGSXWHGKRSB-UHFFFAOYSA-N
CAS 4885-02-3
MDL-Nummer MFCD00000828
Molekulargewicht (g/mol) 114.96
SMILES COC(Cl)Cl
Summenformel C2H4Cl2O
5

Methylthiosalicylat, 97 %, Thermo Scientific Chemicals

CAS: 4892-02-8 Summenformel: C8H8O2S Molekulargewicht (g/mol): 168.22 MDL-Nummer: MFCD00060678 InChI-Schlüssel: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC-Name: methyl-2-sulfanylbenzoat SMILES: COC(=O)C1=CC=CC=C1S

InChI-Schlüssel BAQGCWNPCFABAY-UHFFFAOYSA-N
IUPAC-Name methyl-2-sulfanylbenzoat
PubChem CID 21009
CAS 4892-02-8
MDL-Nummer MFCD00060678
Molekulargewicht (g/mol) 168.22
SMILES COC(=O)C1=CC=CC=C1S
Synonym methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester
Summenformel C8H8O2S
6

3-Brom-5-(Pentafluorothio)Benzoesäure, 97 %, Thermo Scientific™

CAS: 1180675-98-2 Summenformel: C7H4BrF5O2S Molekulargewicht (g/mol): 327.063 MDL-Nummer: MFCD16652482 InChI-Schlüssel: GGDWTFSLWQRHPR-UHFFFAOYSA-N Synonym: 3-bromo-5-pentafluoro-??-sulfanyl benzoic acid,3-bromo-5-pentafluorothio benzoic acid,3-bromo-5-pentafluorosulfur benzoic acid,3-bromo-5-pentafluorosulfanyl benzoic acid,3-bromo-5-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 58137421 IUPAC-Name: 3-brom-5-(pentafluor-$l^{6}-sulfanyl)benzoesäure SMILES: C1=C(C=C(C=C1S(F)(F)(F)(F)F)Br)C(=O)O

InChI-Schlüssel GGDWTFSLWQRHPR-UHFFFAOYSA-N
IUPAC-Name 3-brom-5-(pentafluor-$l^{6}-sulfanyl)benzoesäure
PubChem CID 58137421
CAS 1180675-98-2
MDL-Nummer MFCD16652482
Molekulargewicht (g/mol) 327.063
SMILES C1=C(C=C(C=C1S(F)(F)(F)(F)F)Br)C(=O)O
Synonym 3-bromo-5-pentafluoro-??-sulfanyl benzoic acid,3-bromo-5-pentafluorothio benzoic acid,3-bromo-5-pentafluorosulfur benzoic acid,3-bromo-5-pentafluorosulfanyl benzoic acid,3-bromo-5-pentafluoro-lambda6-sulphanyl benzoic acid
Summenformel C7H4BrF5O2S
7

3-Chlor-5-(Pentafluorothio)Benzamid, 97 %

CAS: 1240257-35-5 Summenformel: C7H5ClF5NOS Molekulargewicht (g/mol): 281.63 MDL-Nummer: MFCD16652452 InChI-Schlüssel: SCYISRHUJQHNFD-UHFFFAOYSA-N Synonym: 3-chloro-5-pentafluorosulfur benzamide,3-chloro-5-pentafluoro-??-sulfanyl benzamide,3-chloro-5-pentafluorothio benzamide PubChem CID: 66523520 IUPAC-Name: 3-chloro-5-(pentafluoro-λ⁶-sulfanyl)benzamide SMILES: NC(=O)C1=CC(=CC(Cl)=C1)S(F)(F)(F)(F)F

InChI-Schlüssel SCYISRHUJQHNFD-UHFFFAOYSA-N
IUPAC-Name 3-chloro-5-(pentafluoro-λ⁶-sulfanyl)benzamide
PubChem CID 66523520
CAS 1240257-35-5
MDL-Nummer MFCD16652452
Molekulargewicht (g/mol) 281.63
SMILES NC(=O)C1=CC(=CC(Cl)=C1)S(F)(F)(F)(F)F
Synonym 3-chloro-5-pentafluorosulfur benzamide,3-chloro-5-pentafluoro-??-sulfanyl benzamide,3-chloro-5-pentafluorothio benzamide
Summenformel C7H5ClF5NOS
8

3-Chlor-5-(Pentafluorothio)Benzoylchlorid, 97 %

CAS: 1240257-81-1 Summenformel: C7H3Cl2F5OS Molekulargewicht (g/mol): 301.05 MDL-Nummer: MFCD16652451 InChI-Schlüssel: GLJCAZZLRUQUSD-UHFFFAOYSA-N Synonym: 3-chloro-5-pentafluorosulfur benzoyl chloride,3-chloro-5-pentafluoro-??-sulfanyl benzoyl chloride,3-chloro-5-pentafluorothio benzoyl chloride PubChem CID: 66523519 IUPAC-Name: 3-chloro-5-(pentafluoro-λ⁶-sulfanyl)benzoyl chloride SMILES: FS(F)(F)(F)(F)C1=CC(Cl)=CC(=C1)C(Cl)=O

InChI-Schlüssel GLJCAZZLRUQUSD-UHFFFAOYSA-N
IUPAC-Name 3-chloro-5-(pentafluoro-λ⁶-sulfanyl)benzoyl chloride
PubChem CID 66523519
CAS 1240257-81-1
MDL-Nummer MFCD16652451
Molekulargewicht (g/mol) 301.05
SMILES FS(F)(F)(F)(F)C1=CC(Cl)=CC(=C1)C(Cl)=O
Synonym 3-chloro-5-pentafluorosulfur benzoyl chloride,3-chloro-5-pentafluoro-??-sulfanyl benzoyl chloride,3-chloro-5-pentafluorothio benzoyl chloride
Summenformel C7H3Cl2F5OS
9

3-Fluor-5-(pentafluorthio)benzoylchlorid, 97 %

CAS: 1240256-92-1 Summenformel: C7H3ClF6OS Molekulargewicht (g/mol): 284.60 MDL-Nummer: MFCD16652427 InChI-Schlüssel: RCKDILSECAWCTQ-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur benzoyl chloride,3-fluoro-5-pentafluoro-??-sulfanyl benzoyl chloride,3-fluoro-5-pentafluorothio benzoyl chloride PubChem CID: 66523468 IUPAC-Name: 3-fluor-5-(pentafluor-$l^{6}-sulfanyl)benzoylchlorid SMILES: FC1=CC(=CC(=C1)C(Cl)=O)S(F)(F)(F)(F)F

InChI-Schlüssel RCKDILSECAWCTQ-UHFFFAOYSA-N
IUPAC-Name 3-fluor-5-(pentafluor-$l^{6}-sulfanyl)benzoylchlorid
PubChem CID 66523468
CAS 1240256-92-1
MDL-Nummer MFCD16652427
Molekulargewicht (g/mol) 284.60
SMILES FC1=CC(=CC(=C1)C(Cl)=O)S(F)(F)(F)(F)F
Synonym 3-fluoro-5-pentafluorosulfur benzoyl chloride,3-fluoro-5-pentafluoro-??-sulfanyl benzoyl chloride,3-fluoro-5-pentafluorothio benzoyl chloride
Summenformel C7H3ClF6OS
10

3-Fluor-5-(Pentafluorothio)Benzamid, 97 %

CAS: 1240256-88-5 Summenformel: C7H5F6NOS Molekulargewicht (g/mol): 265.17 MDL-Nummer: MFCD16652428 InChI-Schlüssel: HOLSCWIIFRPMDH-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur benzamide,3-fluoro-5-pentafluoro-??-sulfanyl benzamide,3-fluoro-5-pentafluorothio benzamide PubChem CID: 66523469 IUPAC-Name: 3-fluor-5-(pentafluor-$l^{6}-sulfanyl)benzamid SMILES: NC(=O)C1=CC(F)=CC(=C1)S(F)(F)(F)(F)F

InChI-Schlüssel HOLSCWIIFRPMDH-UHFFFAOYSA-N
IUPAC-Name 3-fluor-5-(pentafluor-$l^{6}-sulfanyl)benzamid
PubChem CID 66523469
CAS 1240256-88-5
MDL-Nummer MFCD16652428
Molekulargewicht (g/mol) 265.17
SMILES NC(=O)C1=CC(F)=CC(=C1)S(F)(F)(F)(F)F
Synonym 3-fluoro-5-pentafluorosulfur benzamide,3-fluoro-5-pentafluoro-??-sulfanyl benzamide,3-fluoro-5-pentafluorothio benzamide
Summenformel C7H5F6NOS
11

3-(Pentafluorothio)Benzamid, 97 %, Thermo Scientific™

CAS: 1240257-83-3 Summenformel: C7H6F5NOS Molekulargewicht (g/mol): 247.18 MDL-Nummer: MFCD16652410 InChI-Schlüssel: YLMGGQIZDXTBKX-UHFFFAOYSA-N Synonym: 3-pentafluorosulfur benzamide,3-pentafluoro-??-sulfanyl benzamide,3-pentafluorothio benzamide PubChem CID: 66523450 SMILES: NC(=O)C1=CC(=CC=C1)S(F)(F)(F)(F)F

InChI-Schlüssel YLMGGQIZDXTBKX-UHFFFAOYSA-N
PubChem CID 66523450
CAS 1240257-83-3
MDL-Nummer MFCD16652410
Molekulargewicht (g/mol) 247.18
SMILES NC(=O)C1=CC(=CC=C1)S(F)(F)(F)(F)F
Synonym 3-pentafluorosulfur benzamide,3-pentafluoro-??-sulfanyl benzamide,3-pentafluorothio benzamide
Summenformel C7H6F5NOS
12

3-(Pentafluorthio)benzoesäure, 97 %, Thermo Scientific™

CAS: 833-96-5 Summenformel: C7H5F5O2S Molekulargewicht (g/mol): 248.167 MDL-Nummer: MFCD03788519 InChI-Schlüssel: AKFDIYXSRGLRAB-UHFFFAOYSA-N Synonym: 3-pentafluorosulfanyl benzoic acid,3-pentafluorothio benzoic acid,3-sulfurpentafluorobenzoic acid,3-pentafluoro-??-sulfanyl benzoic acid,3-pentafluorosulfanylbenzoic acid,3-carboxyphenylsulphur pentafluoride,3-pentafluorosulphanyl benzoic acid,3-pentafluoro-lambda6-sulfanyl benzoic acid,3-pentafluoro-$l^ 6-sulfanyl benzoic acid,3-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 2779209 IUPAC-Name: 3-(pentafluor-$l^{6}-sulfanyl)Benzoesäure SMILES: C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)O

InChI-Schlüssel AKFDIYXSRGLRAB-UHFFFAOYSA-N
IUPAC-Name 3-(pentafluor-$l^{6}-sulfanyl)Benzoesäure
PubChem CID 2779209
CAS 833-96-5
MDL-Nummer MFCD03788519
Molekulargewicht (g/mol) 248.167
SMILES C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)O
Synonym 3-pentafluorosulfanyl benzoic acid,3-pentafluorothio benzoic acid,3-sulfurpentafluorobenzoic acid,3-pentafluoro-??-sulfanyl benzoic acid,3-pentafluorosulfanylbenzoic acid,3-carboxyphenylsulphur pentafluoride,3-pentafluorosulphanyl benzoic acid,3-pentafluoro-lambda6-sulfanyl benzoic acid,3-pentafluoro-$l^ 6-sulfanyl benzoic acid,3-pentafluoro-lambda6-sulphanyl benzoic acid
Summenformel C7H5F5O2S
13

3-(Pentafluorthio)Benzoylchlorid, 97 %, Thermo Scientific™

CAS: 401892-81-7 Summenformel: C7H4ClF5OS Molekulargewicht (g/mol): 266.61 MDL-Nummer: MFCD03788522 InChI-Schlüssel: IDHIADOQLRPGHK-UHFFFAOYSA-N Synonym: 3-pentafluorosulfanyl benzoyl chloride,3-pentafluoro-??-sulfanyl benzoyl chloride,3-pentafluorothio benzoyl chloride,3-pentafluorosulfur benzoyl chloride,3-pentafluoro-$l^ 6-sulfanyl benzoyl chloride,3-pentafluoro-lambda6-sulfanyl benzoyl chloride PubChem CID: 2779213 IUPAC-Name: 3-(pentafluor-$l^{6}-sulfanyl)benzoylchlorid SMILES: FS(F)(F)(F)(F)C1=CC=CC(=C1)C(Cl)=O

InChI-Schlüssel IDHIADOQLRPGHK-UHFFFAOYSA-N
IUPAC-Name 3-(pentafluor-$l^{6}-sulfanyl)benzoylchlorid
PubChem CID 2779213
CAS 401892-81-7
MDL-Nummer MFCD03788522
Molekulargewicht (g/mol) 266.61
SMILES FS(F)(F)(F)(F)C1=CC=CC(=C1)C(Cl)=O
Synonym 3-pentafluorosulfanyl benzoyl chloride,3-pentafluoro-??-sulfanyl benzoyl chloride,3-pentafluorothio benzoyl chloride,3-pentafluorosulfur benzoyl chloride,3-pentafluoro-$l^ 6-sulfanyl benzoyl chloride,3-pentafluoro-lambda6-sulfanyl benzoyl chloride
Summenformel C7H4ClF5OS
14

3-Methyl-5-(Pentafluorothio)Benzoesäure, 97 %, Thermo Scientific™

CAS: 1448317-68-7 Summenformel: C8H7F5O2S Molekulargewicht (g/mol): 262.194 MDL-Nummer: MFCD16652478 InChI-Schlüssel: DHRPCCNJMXXYMQ-UHFFFAOYSA-N Synonym: 3-methyl-5-pentafluorosulfur benzoic acid,3-methyl-5-pentafluoro-??-sulfanyl benzoic acid,3-methyl-5-pentafluorothio benzoic acid,3-methyl-5-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 66523589 IUPAC-Name: 3-methyl-5-(pentafluor-$l^{6}-sulfanyl)benzoesäure SMILES: CC1=CC(=CC(=C1)C(=O)O)S(F)(F)(F)(F)F

InChI-Schlüssel DHRPCCNJMXXYMQ-UHFFFAOYSA-N
IUPAC-Name 3-methyl-5-(pentafluor-$l^{6}-sulfanyl)benzoesäure
PubChem CID 66523589
CAS 1448317-68-7
MDL-Nummer MFCD16652478
Molekulargewicht (g/mol) 262.194
SMILES CC1=CC(=CC(=C1)C(=O)O)S(F)(F)(F)(F)F
Synonym 3-methyl-5-pentafluorosulfur benzoic acid,3-methyl-5-pentafluoro-??-sulfanyl benzoic acid,3-methyl-5-pentafluorothio benzoic acid,3-methyl-5-pentafluoro-lambda6-sulphanyl benzoic acid
Summenformel C8H7F5O2S
15

3-Fluor-5-(pentafluorthio)-Benzoesäure, 97 %, Thermo Scientific™

CAS: 1448319-13-8 Summenformel: C7H4F6O2S Molekulargewicht (g/mol): 266.157 MDL-Nummer: MFCD16652421 InChI-Schlüssel: WQRFQFPUMUJGOL-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur benzoic acid,3-fluoro-5-pentafluoro-??-sulfanyl benzoic acid,3-fluoro-5-pentafluorothio benzoic acid,3-fluoro-5-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 66523461 IUPAC-Name: 3-fluor-5-(pentafluor-$l^{6}-sulfanyl)benzoesäure SMILES: C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)C(=O)O

InChI-Schlüssel WQRFQFPUMUJGOL-UHFFFAOYSA-N
IUPAC-Name 3-fluor-5-(pentafluor-$l^{6}-sulfanyl)benzoesäure
PubChem CID 66523461
CAS 1448319-13-8
MDL-Nummer MFCD16652421
Molekulargewicht (g/mol) 266.157
SMILES C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)C(=O)O
Synonym 3-fluoro-5-pentafluorosulfur benzoic acid,3-fluoro-5-pentafluoro-??-sulfanyl benzoic acid,3-fluoro-5-pentafluorothio benzoic acid,3-fluoro-5-pentafluoro-lambda6-sulphanyl benzoic acid
Summenformel C7H4F6O2S