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

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
2

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
4

4-Mercaptobenzoic acid, 90%, Thermo Scientific™

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
5

2,2'-Dithiosalicylic acid, 98%, Thermo Scientific™

CAS: 119-80-2 Molecular Formula: C14H10O4S2 Molecular Weight (g/mol): 306.34 MDL Number: MFCD00002465 InChI Key: LBEMXJWGHIEXRA-UHFFFAOYSA-N Synonym: 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid PubChem CID: 8409 IUPAC Name: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O

PubChem CID 8409
CAS 119-80-2
Molecular Weight (g/mol) 306.34
MDL Number MFCD00002465
SMILES C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
Synonym 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid
IUPAC Name 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
InChI Key LBEMXJWGHIEXRA-UHFFFAOYSA-N
Molecular Formula C14H10O4S2
6

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
7

Methyl thiosalicylate, 97%, Thermo Scientific Chemicals

CAS: 4892-02-8 MDL Number: MFCD00060678

CAS 4892-02-8
MDL Number MFCD00060678
8

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
9

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 Synonym: methyl 2-methylthio benzoate,methyl 2-methylsulfanyl benzoate,benzoic acid, 2-methylthio-, methyl ester,benzoic acid,2-methylthio-, methyl ester,2-methylthiobenzoic acid, methyl ester,acmc-1cnec,methyl o-methylthiosalicylate,methyl-2-methylthio benzoate,methyl 2-methylsulfanyl benzoate #,2-methylthio benzoic acid methyl ester 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
Synonym methyl 2-methylthio benzoate,methyl 2-methylsulfanyl benzoate,benzoic acid, 2-methylthio-, methyl ester,benzoic acid,2-methylthio-, methyl ester,2-methylthiobenzoic acid, methyl ester,acmc-1cnec,methyl o-methylthiosalicylate,methyl-2-methylthio benzoate,methyl 2-methylsulfanyl benzoate #,2-methylthio benzoic acid methyl ester
IUPAC Name methyl 2-methylsulfanylbenzoate
InChI Key CPQDZXPLQXZJGF-UHFFFAOYSA-N
Molecular Formula C9H10O2S
10

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

CAS: 3724-10-5 MDL Number: MFCD00029934

CAS 3724-10-5
MDL Number MFCD00029934
11

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
12

2,2'-Dithiosalicylic acid, 96%, Thermo Scientific Chemicals

CAS: 119-80-2 Molecular Formula: C14H10O4S2 Molecular Weight (g/mol): 306.35 MDL Number: MFCD00002465 InChI Key: LBEMXJWGHIEXRA-UHFFFAOYSA-N Synonym: 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid PubChem CID: 8409 IUPAC Name: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O

PubChem CID 8409
CAS 119-80-2
Molecular Weight (g/mol) 306.35
MDL Number MFCD00002465
SMILES C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
Synonym 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid
IUPAC Name 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
InChI Key LBEMXJWGHIEXRA-UHFFFAOYSA-N
Molecular Formula C14H10O4S2
13

2-(Methylthio)benzoic Acid 98.0+%, TCI America™

CAS: 3724-10-5 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00029934 InChI Key: LWJQGKJCZOGGPJ-UHFFFAOYSA-N Synonym: 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french PubChem CID: 19498 IUPAC Name: 2-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC=C1C(=O)O

PubChem CID 19498
CAS 3724-10-5
Molecular Weight (g/mol) 168.21
MDL Number MFCD00029934
SMILES CSC1=CC=CC=C1C(=O)O
Synonym 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french
IUPAC Name 2-methylsulfanylbenzoic acid
InChI Key LWJQGKJCZOGGPJ-UHFFFAOYSA-N
Molecular Formula C8H8O2S
14

Methyl Thiosalicylate 98.0+%, TCI America™

CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 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) 168.21
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
15

2,2′-Dithiobis(6-fluorobenzoic Acid) 98.0+%, TCI America™

CAS: 147027-64-3 Molecular Formula: C14H8F2O4S2 Molecular Weight (g/mol): 342.331 InChI Key: QEONSZINEMHFPH-UHFFFAOYSA-N Synonym: Bis(2-carboxy-3-fluorophenyl) Disulfide PubChem CID: 9974633 IUPAC Name: 2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F

PubChem CID 9974633
CAS 147027-64-3
Molecular Weight (g/mol) 342.331
SMILES C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F
Synonym Bis(2-carboxy-3-fluorophenyl) Disulfide
IUPAC Name 2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid
InChI Key QEONSZINEMHFPH-UHFFFAOYSA-N
Molecular Formula C14H8F2O4S2