O-sulfanylbenzoic acids and derivatives

Description:

Benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Benzene and substituted derivatives ⮕ Benzoic acids and derivatives ⮕ Sulfanylbenzoic acids and derivatives ⮕ O-sulfanylbenzoic acids and derivatives

2-Methylthio-4-trifluoromethylbenzoic acid
- ≥97%
Cas Number: 142994-05-6 Compound CID: 11085762

Formula: C₉H₇F₃O₂S Molecular Weight: 236.21

IUPAC Name: 2-methylsulfanyl-4-(trifluoromethyl)benzoic acid

SMILES: CSC1=C(C=CC(=C1)C(F)(F)F)C(=O)O

InChIKey: VAFHTUOXGAZOQY-UHFFFAOYSA-N

InChI: InChI=1S/C9H7F3O2S/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)
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dimethyl 2，2'-dithiobisbenzoate
- ≥97%
Cas Number: 5459-63-2 Compound CID: 79574

Formula: C₁₆H₁₄O₄S₂ Molecular Weight: 334.42

IUPAC Name: methyl 2-[(2-methoxycarbonylphenyl)disulfanyl]benzoate

SMILES: COC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)OC

InChIKey: NECMWXVJIUGCSW-UHFFFAOYSA-N

InChI: InChI=1S/C16H14O4S2/c1-19-15(17)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(18)20-2/h3-10H,1-2H3
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2，2'-dithiobis[N-methylbenzamide]
- ≥95%
Cas Number: 2527-58-4 Compound CID: 75662

Formula: C₁₆H₁₆N₂O₂S₂ Molecular Weight: 332.44

IUPAC Name: N-methyl-2-[[2-(methylcarbamoyl)phenyl]disulfanyl]benzamide

SMILES: CNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NC

InChIKey: JEVCLNJEBFWVPD-UHFFFAOYSA-N

InChI: InChI=1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
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2，2'-Disulfanediyldibenzamide
- ≥97%
Cas Number: 2527-57-3 Compound CID: 72552

Formula: C₁₄H₁₂N₂O₂S₂ Molecular Weight: 304.4

IUPAC Name: 2-[(2-carbamoylphenyl)disulfanyl]benzamide

SMILES: C1=CC=C(C(=C1)C(=O)N)SSC2=CC=CC=C2C(=O)N

InChIKey: OEEHSSKRJOGQMP-UHFFFAOYSA-N

InChI: InChI=1S/C14H12N2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
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2-[(3-Fluorobenzyl)sulfanyl]benzenecarboxylic acid
- ≥95%
Cas Number: 385383-44-8 Compound CID: 2782977

Formula: C₁₄H₁₁FO₂S Molecular Weight: 262.3

IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]benzoic acid

SMILES: C1=CC=C(C(=C1)C(=O)O)SCC2=CC(=CC=C2)F

InChIKey: UFCGYCLSSJSOLK-UHFFFAOYSA-N

InChI: InChI=1S/C14H11FO2S/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
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2-(benzylsulfanyl)benzenecarboxylic acid
- ≥95%
Cas Number: 1531-80-2 Compound CID: 264182

Formula: C₁₄H₁₂O₂S Molecular Weight: 244.31

IUPAC Name: 2-benzylsulfanylbenzoic acid

SMILES: C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O

InChIKey: IQMZULGMADGDLC-UHFFFAOYSA-N

InChI: InChI=1S/C14H12O2S/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
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2-((4-Chlorobenzyl)thio)benzoic acid
- ≥95%
Cas Number: 15887-84-0 Compound CID: 738081

Formula: C₁₄H₁₁ClO₂S Molecular Weight: 278.76

IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]benzoic acid

SMILES: C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)Cl

InChIKey: XYLALGWPEGHXHS-UHFFFAOYSA-N

InChI: InChI=1S/C14H11ClO2S/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17/h1-8H,9H2,(H,16,17)
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Thimerosal
Cas Number: 54-64-8 EC Number: 200-210-4 Compound CID: 16684434

Formula: C₉H₉HgNaO₂S Molecular Weight: 404.81

IUPAC Name: sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury

SMILES: CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]

InChIKey: RTKIYNMVFMVABJ-UHFFFAOYSA-L

InChI: InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2

Synonyms: Mercury-([o-carboxyphenyl]thio)ethyl sodium salt | Sodium ethylmercurithiosalicylate
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RU-301
- 10mM in DMSO
Cas Number: 1110873-99-8 Compound CID: 40135492

Formula: C₂₁H₁₉F₃N₄O₄S Molecular Weight: 480.46

IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]benzamide

SMILES: CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChIKey: BPHPWPNHNGXNPR-UHFFFAOYSA-N

InChI: InChI=1S/C21H19F3N4O4S/c1-13-10-15(32-27-13)12-33-19-5-3-2-4-16(19)20(29)26-9-8-25-17-7-6-14(21(22,23)24)11-18(17)28(30)31/h2-7,10-11,25H,8-9,12H2,1H3show more
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RU-301
- ≥99%
Cas Number: 1110873-99-8 Compound CID: 40135492

Formula: C₂₁H₁₉F₃N₄O₄S Molecular Weight: 480.46

IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]benzamide

SMILES: CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChIKey: BPHPWPNHNGXNPR-UHFFFAOYSA-N

InChI: InChI=1S/C21H19F3N4O4S/c1-13-10-15(32-27-13)12-33-19-5-3-2-4-16(19)20(29)26-9-8-25-17-7-6-14(21(22,23)24)11-18(17)28(30)31/h2-7,10-11,25H,8-9,12H2,1H3show more
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2- Mercapto-N-Methyllbenzamide
- ≥95%
Cas Number: 20054-45-9

Formula: C₈H₉NOS Molecular Weight: 167.231

IUPAC Name: N-methyl-2-sulfanylbenzamide

SMILES: CNC(=O)C1=CC=CC=C1S

InChIKey: VIFOAZNEQRHREM-UHFFFAOYSA-N

InChI: InChI=1S/C8H9NOS/c1-9-8(10)6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H,9,10)

Synonyms: 2-MERCAPTO-N-METHYLBENZAMIDE|20054-45-9|N-methyl-2-sulfanylbenzamide|Benzamide, 2-mercapto-N-methyl-|2-mercapto-N-met...
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2,2'-Dithiobis(6-fluorobenzoic Acid)
- ≥98%
Cas Number: 147027-64-3

Formula: C₁₄H₈F₂O₄S₂ Molecular Weight: 342.33

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

InChIKey: QEONSZINEMHFPH-UHFFFAOYSA-N

InChI: InChI=1S/C14H8F2O4S2/c15-7-3-1-5-9(11(7)13(17)18)21-22-10-6-2-4-8(16)12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)

Synonyms: T70301 | AS-66199 | 2-[(2-CARBOXY-3-FLUOROPHENYL)DISULFANYL]-6-FLUOROBENZOIC ACID | D3198 | SCHEMBL9710258 | MFCD0827...
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