O-sulfanylbenzoic acids

Description:

Benzoic acids 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 ⮕ O-sulfanylbenzoic acids

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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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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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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2-(Methylthio)benzoic acid
- ≥98%
Cas Number: 3724-10-5 EC Number: MFCD00029934

Formula: CH₃SC₆H₄CO₂H Molecular Weight: 168.21

IUPAC Name: 2-methylsulfanylbenzoic acid

SMILES: CSC1=CC=CC=C1C(=O)O

InChIKey: LWJQGKJCZOGGPJ-UHFFFAOYSA-N

InChI: InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

Synonyms: 2-(Methylsulfanyl)benzoic acid # | AB01328835-02 | o-(Methylthio)benzoic acid | SY048265 | BBL100116 | FD7329 | carbo...
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2,2′-Dithiodibenzoic acid
- ≥96%
Cas Number: 119-80-2 EC Number: 204-352-8

Formula: C₁₄H₁₀O₄S₂ Molecular Weight: 306.36

IUPAC Name: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid

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

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N

InChI: InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)

Synonyms: 2,2'-Dithiodi(benzoic acid) | Benzoic acid, dithiobis- | dithiodibenzoic acid | J-004201 | Diphenyl disulfide-2,2'-di...
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Thisosalicyilic acid
- ≥99%
Cas Number: 147-93-3 EC Number: 205-704-3 Compound CID: 5443

Formula: C₇H₆O₂S Molecular Weight: 154.19

IUPAC Name: 2-sulfanylbenzoic acid

SMILES: C1=CC=C(C(=C1)C(=O)O)S

InChIKey: NBOMNTLFRHMDEZ-UHFFFAOYSA-N

InChI: InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)

Synonyms: o-Thiosalicylic acid | o-Mercaptobenzoic acid | o-Sulfhydrylbenzoic acid | 2-Thiosalicylic acid | o-Carboxythiophenol...
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Thimerosal
- ≥97%
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: Sodium merthiolate | Thiomersalate | Ethylmercurithiosalicylate sodium | Mercurothiolate | Ethylmercurithiosalicylic ...
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Sodium Thiosalicylate
- ≥95%(T)
Cas Number: 134-23-6 Compound CID: 23690429

Formula: C₇H₅NaO₂S Molecular Weight: 176.16

IUPAC Name: sodium;2-sulfanylbenzoate

SMILES: C1=CC=C(C(=C1)C(=O)[O-])S.[Na+]

InChIKey: HBAIZOJDXAXWHS-UHFFFAOYSA-M

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

Synonyms: N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin 4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropan...
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5-Fluoro-2-mercaptobenzoic acid
- ≥96%
Cas Number: 120121-07-5

Formula: C₇H₅FO₂S Molecular Weight: 172.18

IUPAC Name: 5-fluoro-2-sulfanylbenzoic acid

SMILES: C1=CC(=C(C=C1F)C(=O)O)S

InChIKey: WSOZOINWBSJTER-UHFFFAOYSA-N

InChI: InChI=1S/C7H5FO2S/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,11H,(H,9,10)

Synonyms: AKOS009157961 | A804436 | DTXSID40382615 | SCHEMBL1424485 | EN300-134812 | 5-fluorothiosalicylic Acid | FT-0692726 | ...
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