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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

Methyl thiosalicylate, 97%

CAS: 4892-02-8 MDL Number: MFCD00060678

CAS 4892-02-8
MDL Number MFCD00060678
2

1,1-Dichlorodimethyl ether, 97%

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
3

Methyl thiosalicylate, 97%

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
4

rac-Monepantel, TRC

CAS: 851976-50-6 Molecular Formula: C20 H13 F6 N3 O2 S Molecular Weight (g/mol): 473.39 Synonym: Benzamide, N-[1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl]-4-[(trifluoromethyl)thio]-,N-[1-Cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl]-4-[(trifluoromethyl)thio]benzamide,N-[1-Cyano-2-(5-cyano-2-trifluoromethylphenoxy)-1-methylethyl]-4-trifluoromethylsulfanylbenzamide IUPAC Name: N-[2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide SMILES: CC(COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c2ccc(SC(F)(F)F)cc2)C#N

CAS 851976-50-6
Molecular Weight (g/mol) 473.39
SMILES CC(COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c2ccc(SC(F)(F)F)cc2)C#N
Synonym Benzamide, N-[1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl]-4-[(trifluoromethyl)thio]-,N-[1-Cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl]-4-[(trifluoromethyl)thio]benzamide,N-[1-Cyano-2-(5-cyano-2-trifluoromethylphenoxy)-1-methylethyl]-4-trifluoromethylsulfanylbenzamide
IUPAC Name N-[2-cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzamide
Molecular Formula C20 H13 F6 N3 O2 S
5

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