1.0 2010-04-08 22:04:43 UTC 2025-11-18 22:23:44 UTC FDB000803 Phenylmethanethiol Flavouring agent (Mercaptomethyl)benzene (mercaptomethyl)polystyrene (Thiomethyl)benzene α-mercaptotoluene α-toluenethiol α-toluolthiol α-tolyl mercaptan a-Toluenethiol, 8CI alpha -Mercaptotoluene alpha -Toluenethiol alpha -Toluolthiol alpha -Tolyl mercaptan alpha-Mercapto-toluene Alpha-mercaptotoluene Alpha-toluenethiol Alpha-toluolthiol Alpha-tolyl mercaptan Benzenemethanethiol Benzenemethanethiol, 9CI Benzyl hydrosulfide Benzyl mercaptan Benzyl thiol Benzylhydrosulfide Benzylthiol Dodeoyl benzyl mercaptan FEMA 2147 Mercaptomethyl, polymer-bound Methanethiol, phenyl- Phenyl-methanethiol Phenylmethyl mercaptan Thiobenzyl alcohol Thiol, polymer-bound Toluene-alpha-thiol Toluene, alpha-mercapto- C7H8S 124.203 124.034670946 phenylmethanethiol benzyl mercaptan 100-53-8 SCC1=CC=CC=C1 InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 UENWRTRMUIOCKN-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Alkylthiols Hydrocarbon derivatives Alkylthiol Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organosulfur compound Liquid logp 2.33 ALOGPS logs -2.55 ALOGPS solubility 3.50e-01 g/l ALOGPS melting_point -30 oC logp 2.46 ChemAxon pka_strongest_acidic 9.93 ChemAxon pka_strongest_basic -9.7 ChemAxon iupac phenylmethanethiol ChemAxon average_mass 124.203 ChemAxon mono_mass 124.034670946 ChemAxon smiles SCC1=CC=CC=C1 ChemAxon formula C7H8S ChemAxon inchi InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 ChemAxon inchikey UENWRTRMUIOCKN-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 38.9 ChemAxon polarizability 13.79 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3506 Specdb::MsIr 3507 Specdb::MsIr 3508 Specdb::CMs 18663 Specdb::CMs 29441 Specdb::CMs 100364 Specdb::CMs 148184 Specdb::MsMs 78012 Specdb::MsMs 78013 Specdb::MsMs 78014 Specdb::MsMs 138264 Specdb::MsMs 138265 Specdb::MsMs 138266 Specdb::MsMs 2457308 Specdb::MsMs 2457309 Specdb::MsMs 2457310 Specdb::MsMs 2481880 Specdb::MsMs 2481881 Specdb::MsMs 2481882 HMDB29633 #<Reference:0x000055ce32f941f0> #<Reference:0x000055ce32f94038> #<Reference:0x000055ce32f93de0> #<Reference:0x000055ce32f93c28> #<Reference:0x000055ce32f93980> #<Reference:0x000055ce32f936b0> #<Reference:0x000055ce32f93368> alliaceous coffee garlic horseradish mint onion sharp sulfurous