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Sulfanylbenzoic acids and derivatives

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 33 results
1

Thimerosal, Thermo Scientific Chemicals

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

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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 thiosalicylate, 97%, Thermo Scientific Chemicals

CAS: 4892-02-8 MDL Number: MFCD00060678

CAS 4892-02-8
MDL Number MFCD00060678
3

Methyl 2-(methylthio)benzoate, 98%, Thermo Scientific Chemicals

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
4

4-(Methylthio)benzoic acid, 97%, Thermo Scientific Chemicals

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
5

2-(Methylthio)benzoic acid, 98+%, Thermo Scientific Chemicals

CAS: 3724-10-5 MDL Number: MFCD00029934

CAS 3724-10-5
MDL Number MFCD00029934
6

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

CAS: 1448317-68-7 Molecular Formula: C8H7F5O2S Molecular Weight (g/mol): 262.194 MDL Number: MFCD16652478 InChI Key: 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-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMILES: CC1=CC(=CC(=C1)C(=O)O)S(F)(F)(F)(F)F

PubChem CID 66523589
CAS 1448317-68-7
Molecular Weight (g/mol) 262.194
MDL Number MFCD16652478
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
IUPAC Name 3-methyl-5-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI Key DHRPCCNJMXXYMQ-UHFFFAOYSA-N
Molecular Formula C8H7F5O2S
7

1,1-Dichlorodimethyl ether, 97%, Thermo Scientific Chemicals

CAS: 4885-02-3 Molecular Formula: C2H4Cl2O Molecular Weight (g/mol): 114.96 MDL Number: MFCD00000828 InChI Key: GRTGGSXWHGKRSB-UHFFFAOYSA-N SMILES: COC(Cl)Cl

CAS 4885-02-3
Molecular Weight (g/mol) 114.96
MDL Number MFCD00000828
SMILES COC(Cl)Cl
InChI Key GRTGGSXWHGKRSB-UHFFFAOYSA-N
Molecular Formula C2H4Cl2O
8

3-(Trifluoromethylthio)benzoic acid, 97%, Thermo Scientific Chemicals

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
9

Methyl thiosalicylate, 97%, Thermo Scientific Chemicals

CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.22 MDL Number: MFCD00060678 InChI Key: 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-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S

PubChem CID 21009
CAS 4892-02-8
Molecular Weight (g/mol) 168.22
MDL Number MFCD00060678
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
IUPAC Name methyl 2-sulfanylbenzoate
InChI Key BAQGCWNPCFABAY-UHFFFAOYSA-N
Molecular Formula C8H8O2S
10

3-(Methylthio)benzoic acid, 97%, Thermo Scientific Chemicals

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
11

4-Mercaptobenzoic acid, 90%, Thermo Scientific Chemicals

CAS: 1074-36-8 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.18 MDL Number: MFCD00016617 InChI Key: LMJXSOYPAOSIPZ-UHFFFAOYSA-N Synonym: 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol PubChem CID: 95738 IUPAC Name: 4-sulfanylbenzoic acid SMILES: OC(=O)C1=CC=C(S)C=C1

PubChem CID 95738
CAS 1074-36-8
Molecular Weight (g/mol) 154.18
MDL Number MFCD00016617
SMILES OC(=O)C1=CC=C(S)C=C1
Synonym 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol
IUPAC Name 4-sulfanylbenzoic acid
InChI Key LMJXSOYPAOSIPZ-UHFFFAOYSA-N
Molecular Formula C7H6O2S
13

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
14

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

CAS: 1240256-92-1 Molecular Formula: C7H3ClF6OS Molecular Weight (g/mol): 284.60 MDL Number: MFCD16652427 InChI Key: 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-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride SMILES: FC1=CC(=CC(=C1)C(Cl)=O)S(F)(F)(F)(F)F

PubChem CID 66523468
CAS 1240256-92-1
Molecular Weight (g/mol) 284.60
MDL Number MFCD16652427
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
IUPAC Name 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride
InChI Key RCKDILSECAWCTQ-UHFFFAOYSA-N
Molecular Formula C7H3ClF6OS
15

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