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Sulfanylbenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a sulfanyl group substitution; a sulfanyl group is a sulfur atom bonded to a hydrogen atom via a single bond. Includes compounds that are directly derived from sulfanylbenzoic acid.
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1 – 15 of 28 results
1

Thimerosal

CAS: 54-64-8 Molecular Formula: C9H9HgNaO2S Molecular Weight (g/mol): 404.81 MDL Number: MFCD00013062 InChI Key: RTKIYNMVFMVABJ-UHFFFAOYSA-L Synonym: thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate PubChem CID: 16684434 ChEBI: CHEBI:9546 SMILES: [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O

PubChem CID 16684434
CAS 54-64-8
Molecular Weight (g/mol) 404.81
ChEBI CHEBI:9546
MDL Number MFCD00013062
SMILES [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O
Synonym thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate
InChI Key RTKIYNMVFMVABJ-UHFFFAOYSA-L
Molecular Formula C9H9HgNaO2S
2

Methyl 2-(methylthio)benzoate, 98%

CAS: 3704-28-7 Molecular Formula: C9H10O2S Molecular Weight (g/mol): 182.237 MDL Number: MFCD00068039 InChI Key: CPQDZXPLQXZJGF-UHFFFAOYSA-N PubChem CID: 279586 IUPAC Name: methyl 2-methylsulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1SC

PubChem CID 279586
CAS 3704-28-7
Molecular Weight (g/mol) 182.237
MDL Number MFCD00068039
SMILES COC(=O)C1=CC=CC=C1SC
IUPAC Name methyl 2-methylsulfanylbenzoate
InChI Key CPQDZXPLQXZJGF-UHFFFAOYSA-N
Molecular Formula C9H10O2S
3

3-(Methylthio)benzoic acid, 97%

CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: 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-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O

PubChem CID 220329
CAS 825-99-0
Molecular Weight (g/mol) 168.21
MDL Number MFCD00156993
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
IUPAC Name 3-methylsulfanylbenzoic acid
InChI Key PZGADOOBMVLBJE-UHFFFAOYSA-N
Molecular Formula C8H8O2S
4

2-(Methylthio)benzoic acid, 98+%

CAS: 3724-10-5 MDL Number: MFCD00029934

CAS 3724-10-5
MDL Number MFCD00029934
5

4-(Methylthio)benzoic acid, 97%

CAS: 13205-48-6 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00002555 InChI Key: KWHCPERWLHBLOT-UHFFFAOYSA-N Synonym: 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa PubChem CID: 83230 IUPAC Name: 4-methylsulfanylbenzoic acid SMILES: CSC1=CC=C(C=C1)C(O)=O

PubChem CID 83230
CAS 13205-48-6
Molecular Weight (g/mol) 168.21
MDL Number MFCD00002555
SMILES CSC1=CC=C(C=C1)C(O)=O
Synonym 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa
IUPAC Name 4-methylsulfanylbenzoic acid
InChI Key KWHCPERWLHBLOT-UHFFFAOYSA-N
Molecular Formula C8H8O2S
6

Methyl thiosalicylate, 97%

CAS: 4892-02-8 MDL Number: MFCD00060678

CAS 4892-02-8
MDL Number MFCD00060678
7

3-(Trifluoromethylthio)benzoic acid, 97%

CAS: 946-65-6 Molecular Formula: C8H4F3O2S Molecular Weight (g/mol): 221.17 MDL Number: MFCD00236337 InChI Key: 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-(trifluoromethylsulfanyl)benzoic acid SMILES: [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1

PubChem CID 688330
CAS 946-65-6
Molecular Weight (g/mol) 221.17
MDL Number MFCD00236337
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
IUPAC Name 3-(trifluoromethylsulfanyl)benzoic acid
InChI Key IVGAPIVNQABETQ-UHFFFAOYSA-M
Molecular Formula C8H4F3O2S
8

2-(Carboxymethylthio)benzoic acid, 97%, Thermo Scientific™

CAS: 135-13-7 Molecular Formula: C9H8O4S Molecular Weight (g/mol): 212.22 MDL Number: MFCD00021761 InChI Key: GMBZSYUPMWCDGK-UHFFFAOYSA-N Synonym: 2-carboxymethylthio benzoic acid,2-carboxymethyl thio benzoic acid,2-carboxymethyl sulfanyl benzoic acid,o-carboxyphenylthio acetic acid,2-carboxyphenylthioglycolic acid,acetic acid, 2-carboxyphenyl thio,o-carboxyphenylthioglycollic acid,benzoic acid, 2-carboxymethylthio PubChem CID: 8660 IUPAC Name: 2-(carboxymethylsulfanyl)benzoic acid SMILES: OC(=O)CSC1=CC=CC=C1C(O)=O

PubChem CID 8660
CAS 135-13-7
Molecular Weight (g/mol) 212.22
MDL Number MFCD00021761
SMILES OC(=O)CSC1=CC=CC=C1C(O)=O
Synonym 2-carboxymethylthio benzoic acid,2-carboxymethyl thio benzoic acid,2-carboxymethyl sulfanyl benzoic acid,o-carboxyphenylthio acetic acid,2-carboxyphenylthioglycolic acid,acetic acid, 2-carboxyphenyl thio,o-carboxyphenylthioglycollic acid,benzoic acid, 2-carboxymethylthio
IUPAC Name 2-(carboxymethylsulfanyl)benzoic acid
InChI Key GMBZSYUPMWCDGK-UHFFFAOYSA-N
Molecular Formula C9H8O4S
9

2-Methyl-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 623943-54-4 Molecular Formula: C8H7F5O2S Molecular Weight (g/mol): 262.194 MDL Number: MFCD16652477 InChI Key: HSIPIUUYFOAFKK-UHFFFAOYSA-N Synonym: 2-methyl-5-pentafluorosulfur benzoic acid,2-methyl-5-pentafluoro-??-sulfanyl benzoic acid,2-methyl-5-pentafluorothio benzoic acid PubChem CID: 66523588 IUPAC Name: 2-methyl-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: CC1=C(C=C(C=C1)S(F)(F)(F)(F)F)C(=O)O

PubChem CID 66523588
CAS 623943-54-4
Molecular Weight (g/mol) 262.194
MDL Number MFCD16652477
SMILES CC1=C(C=C(C=C1)S(F)(F)(F)(F)F)C(=O)O
Synonym 2-methyl-5-pentafluorosulfur benzoic acid,2-methyl-5-pentafluoro-??-sulfanyl benzoic acid,2-methyl-5-pentafluorothio benzoic acid
IUPAC Name 2-methyl-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key HSIPIUUYFOAFKK-UHFFFAOYSA-N
Molecular Formula C8H7F5O2S
10

3-Fluoro-5-(pentafluorothio)benzamide, 97%, Thermo Scientific™

CAS: 1240256-88-5 Molecular Formula: C7H5F6NOS Molecular Weight (g/mol): 265.17 MDL Number: MFCD16652428 InChI Key: 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-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide SMILES: NC(=O)C1=CC(F)=CC(=C1)S(F)(F)(F)(F)F

PubChem CID 66523469
CAS 1240256-88-5
Molecular Weight (g/mol) 265.17
MDL Number MFCD16652428
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
IUPAC Name 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzamide
InChI Key HOLSCWIIFRPMDH-UHFFFAOYSA-N
Molecular Formula C7H5F6NOS
11

2-Chloro-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 1431329-70-2 Molecular Formula: C7H4ClF5O2S Molecular Weight (g/mol): 282.609 MDL Number: MFCD22988931 InChI Key: KNKMPGVWOPIPMH-UHFFFAOYSA-N Synonym: 2-chloro-5-pentafluorothio benzoic acid,2-chloro-5-pentafluorosulfur benzoic acid,2-chloro-5-pentafluoro-??-sulfanyl benzoic acid PubChem CID: 73995201 IUPAC Name: 2-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)Cl

PubChem CID 73995201
CAS 1431329-70-2
Molecular Weight (g/mol) 282.609
MDL Number MFCD22988931
SMILES C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)Cl
Synonym 2-chloro-5-pentafluorothio benzoic acid,2-chloro-5-pentafluorosulfur benzoic acid,2-chloro-5-pentafluoro-??-sulfanyl benzoic acid
IUPAC Name 2-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key KNKMPGVWOPIPMH-UHFFFAOYSA-N
Molecular Formula C7H4ClF5O2S
12

2-Fluoro-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 1240257-15-1 Molecular Formula: C7H4F6O2S Molecular Weight (g/mol): 266.157 MDL Number: MFCD16652494 InChI Key: HQONRARZDMQSRY-UHFFFAOYSA-N Synonym: 2-fluoro-5-pentafluoro-??-sulfanyl benzoic acid,2-fluoro-5-pentafluorothio benzoic acid,2-fluoro-5-pentafluorosulfur benzoic acid PubChem CID: 66523626 IUPAC Name: 2-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)F

PubChem CID 66523626
CAS 1240257-15-1
Molecular Weight (g/mol) 266.157
MDL Number MFCD16652494
SMILES C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)F
Synonym 2-fluoro-5-pentafluoro-??-sulfanyl benzoic acid,2-fluoro-5-pentafluorothio benzoic acid,2-fluoro-5-pentafluorosulfur benzoic acid
IUPAC Name 2-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key HQONRARZDMQSRY-UHFFFAOYSA-N
Molecular Formula C7H4F6O2S
13

3-Fluoro-5-(pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 1448319-13-8 Molecular Formula: C7H4F6O2S Molecular Weight (g/mol): 266.157 MDL Number: MFCD16652421 InChI Key: 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-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)C(=O)O

PubChem CID 66523461
CAS 1448319-13-8
Molecular Weight (g/mol) 266.157
MDL Number MFCD16652421
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
IUPAC Name 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key WQRFQFPUMUJGOL-UHFFFAOYSA-N
Molecular Formula C7H4F6O2S
14

3-(Pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 833-96-5 Molecular Formula: C7H5F5O2S Molecular Weight (g/mol): 248.167 MDL Number: MFCD03788519 InChI Key: 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-$l^ 6-sulfanyl benzoic acid,3-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 2779209 IUPAC Name: 3-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)O

PubChem CID 2779209
CAS 833-96-5
Molecular Weight (g/mol) 248.167
MDL Number MFCD03788519
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-$l^ 6-sulfanyl benzoic acid,3-pentafluoro-lambda6-sulphanyl benzoic acid
IUPAC Name 3-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key AKFDIYXSRGLRAB-UHFFFAOYSA-N
Molecular Formula C7H5F5O2S
15

3-Chloro-5-(pentafluorothio)benzoyl chloride, 97%, Thermo Scientific™

CAS: 1240257-81-1 Molecular Formula: C7H3Cl2F5OS Molecular Weight (g/mol): 301.05 MDL Number: MFCD16652451 InChI Key: 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-$l^{6}-sulfanyl)benzoyl chloride SMILES: FS(F)(F)(F)(F)C1=CC(Cl)=CC(=C1)C(Cl)=O

PubChem CID 66523519
CAS 1240257-81-1
Molecular Weight (g/mol) 301.05
MDL Number MFCD16652451
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
IUPAC Name 3-chloro-5-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride
InChI Key GLJCAZZLRUQUSD-UHFFFAOYSA-N
Molecular Formula C7H3Cl2F5OS