1.0 2010-04-08 22:04:45 UTC 2015-07-20 21:35:34 UTC FDB000883 S-Methyl benzenecarbothioate Flavouring agent for foods (s)-methyl thiobenzoate (S)-Methyl thiobenzoic acid Benzenecarbothioate, S-methyl ester Benzenecarbothioic acid, s-methyl ester Benzoic acid, thio-, s-methyl ester Methyl thiobenzoate Methylthiobenzoate Methylthiobenzoic acid S-ethyl benzothioate S-Ethyl benzothioic acid S-Methyl benzenecarbothioate S-Methyl benzenecarbothioic acid S-Methyl benzothioate S-Methyl thiobenzoate Thiobenzoate methyl ester Thiobenzoate methylthioester Thiobenzoic acid methyl ester Thiobenzoic acid methylthioester Thiobenzoic acid s-methyl ester C8H8OS 152.214 152.029585568 (methylsulfanyl)(phenyl)methanone (methylsulfanyl)(phenyl)methanone 5925-68-8 CSC(=O)C1=CC=CC=C1 InChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 RQVWTMCUTHKGCM-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. Benzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carbothioic S-esters Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Sulfenyl compounds Thiobenzoic acids and derivatives Thioesters Aromatic homomonocyclic compound Benzoic acid or derivatives Benzoyl Carbothioic s-ester Carboxylic acid derivative Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Sulfenyl compound Thiobenzoic acid or derivatives Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Liquid logp 1.90 ALOGPS logs -2.30 ALOGPS solubility 7.71e-01 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_basic -6 ChemAxon iupac (methylsulfanyl)(phenyl)methanone ChemAxon average_mass 152.214 ChemAxon mono_mass 152.029585568 ChemAxon smiles CSC(=O)C1=CC=CC=C1 ChemAxon formula C8H8OS ChemAxon inchi InChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 ChemAxon inchikey RQVWTMCUTHKGCM-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.38 ChemAxon polarizability 15.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3598 Specdb::MsIr 3599 Specdb::CMs 16803 Specdb::CMs 135400 Specdb::CMs 143134 Specdb::MsMs 84858 Specdb::MsMs 84859 Specdb::MsMs 84860 Specdb::MsMs 146814 Specdb::MsMs 146815 Specdb::MsMs 146816 Specdb::MsMs 2400390 Specdb::MsMs 2400391 Specdb::MsMs 2400392 Specdb::MsMs 2539187 Specdb::MsMs 2539188 Specdb::MsMs 2539189 HMDB29694 #<Reference:0x000055ce31e92a78> cabbage garlic potato sulfurous vegetable