1.0 2010-04-08 22:14:22 UTC 2019-11-26 03:17:30 UTC FDB019456 1-Hexanethiol 1-Hexanethiol is a food additive listed in the EAFUS Food Additive Database (Jan. 2001). It is found in cooked meats. Used as a food flavouring agent. 1-Hexylthiol 1-Mercaptohexane FEMA 3842 Hexan-1-thiol Hexanethiol Hexyl mercaptan Hexylthiol Mercaptan C6 N-hexanethiol N-hexyl mercaptan N-hexylmercaptan N-hexylthiol C6H14S 118.24 118.081621138 hexane-1-thiol 1-hexanethiol 111-31-9 CCCCCCS InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 PMBXCGGQNSVESQ-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative logp 3.65 ALOGPS logs -2.88 ALOGPS solubility 1.55e-01 g/l ALOGPS melting_point Mp -81° logp 2.95 ChemAxon pka_strongest_acidic 10.2 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac hexane-1-thiol ChemAxon average_mass 118.24 ChemAxon mono_mass 118.081621138 ChemAxon smiles CCCCCCS ChemAxon formula C6H14S ChemAxon inchi InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 ChemAxon inchikey PMBXCGGQNSVESQ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 37.37 ChemAxon polarizability 15.38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9368 Specdb::CMs 174641 Specdb::MsIr 8352 Specdb::MsIr 8353 Specdb::MsIr 8354 Specdb::MsMs 107871 Specdb::MsMs 107872 Specdb::MsMs 107873 Specdb::MsMs 174960 Specdb::MsMs 174961 Specdb::MsMs 174962 Specdb::MsMs 3050366 Specdb::MsMs 3050367 Specdb::MsMs 3050368 Specdb::MsMs 3120037 Specdb::MsMs 3120038 Specdb::MsMs 3120039 HMDB39806 #<Reference:0x000055ce32d636d8> burnt fat fatty garlic meaty roasted sulfur sulfurous sulfury