1.02010-04-08 22:08:08 UTC2015-07-20 22:23:18 UTCFDB0085372-ThiophenemethanethiolFlavouring ingredient2-(Mercaptomethyl)thiophene2-Thenyl mercaptan2-Thenylmercaptan2-Thenylthiol2-Thienylmethanethiol2-ThiophenemethenethiolThenyl mercaptanThiophene-2-methanethiolC5H6S2130.231129.991091572thiophen-2-ylmethanethiolthiophen-2-ylmethanethiol6258-63-5SCC1=CC=CS1InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2GCZQHDFWKVMZOE-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 compoundsOrganic compoundsOrganoheterocyclic compoundsHeteroaromatic compoundsAromatic heteromonocyclic compoundsAlkylthiolsHydrocarbon derivativesThiophenesAlkylthiolAromatic heteromonocyclic compoundHeteroaromatic compoundHydrocarbon derivativeOrganosulfur compoundThiophenelogp2.73logs-2.86solubility1.79e-01 g/llogp2.37pka_strongest_acidic9.84pka_strongest_basic-8.1iupacthiophen-2-ylmethanethiolaverage_mass130.231mono_mass129.991091572smilesSCC1=CC=CS1formulaC5H6S2inchiInChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2inchikeyGCZQHDFWKVMZOE-UHFFFAOYSA-Npolar_surface_area0refractivity35.95polarizability13.55rotatable_bond_count1acceptor_count0donor_count1physiological_charge0formal_charge0Specdb::MsIr4954Specdb::MsIr4955Specdb::MsIr4956Specdb::CMs17870Specdb::CMs164318Specdb::MsMs96099Specdb::MsMs96100Specdb::MsMs96101Specdb::MsMs160512Specdb::MsMs160513Specdb::MsMs160514Specdb::MsMs2380374Specdb::MsMs2380375Specdb::MsMs2380376Specdb::MsMs2559201Specdb::MsMs2559202Specdb::MsMs2559203HMDB31853#<Reference:0x0000555675e05af8>coffeefishyroastsulfur