1.0 2010-04-08 22:08:08 UTC 2015-07-20 22:23:18 UTC FDB008537 2-Thiophenemethanethiol Flavouring ingredient 2-(Mercaptomethyl)thiophene 2-Thenyl mercaptan 2-Thenylmercaptan 2-Thenylthiol 2-Thienylmethanethiol 2-Thiophenemethenethiol Thenyl mercaptan Thiophene-2-methanethiol C5H6S2 130.231 129.991091572 thiophen-2-ylmethanethiol thiophen-2-ylmethanethiol 6258-63-5 SCC1=CC=CS1 InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 GCZQHDFWKVMZOE-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Alkylthiols Hydrocarbon derivatives Thiophenes Alkylthiol Aromatic heteromonocyclic compound Heteroaromatic compound Hydrocarbon derivative Organosulfur compound Thiophene logp 2.73 ALOGPS logs -2.86 ALOGPS solubility 1.79e-01 g/l ALOGPS logp 2.37 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -8.1 ChemAxon iupac thiophen-2-ylmethanethiol ChemAxon average_mass 130.231 ChemAxon mono_mass 129.991091572 ChemAxon smiles SCC1=CC=CS1 ChemAxon formula C5H6S2 ChemAxon inchi InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 ChemAxon inchikey GCZQHDFWKVMZOE-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 35.95 ChemAxon polarizability 13.55 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4954 Specdb::MsIr 4955 Specdb::MsIr 4956 Specdb::CMs 17870 Specdb::CMs 164318 Specdb::MsMs 96099 Specdb::MsMs 96100 Specdb::MsMs 96101 Specdb::MsMs 160512 Specdb::MsMs 160513 Specdb::MsMs 160514 Specdb::MsMs 2380374 Specdb::MsMs 2380375 Specdb::MsMs 2380376 Specdb::MsMs 2559201 Specdb::MsMs 2559202 Specdb::MsMs 2559203 HMDB31853 #<Reference:0x000055ce31a52c60> coffee fishy roast sulfur