1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:18 UTC FDB010924 3-(Methylthio)thiophene Maillard product, present in meat flavour. 3-(Methylthio)thiophene is found in animal foods. 3-(Methylsulfanyl)thiophene 3-(methylthio)-Thiophene 3-(Methylthio)thiophene, 9CI 3-Thienylmethylsulfide Methyl 3-thienyl sulfide methyl-3-thienylsulfide Thiophene, 3-(methylthio)- C5H6S2 130.231 129.991091572 3-(methylsulfanyl)thiophene 3-(methylsulfanyl)thiophene 20731-74-2 CSC1=CSC=C1 InChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3 OTYBVBDWIKXFDO-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. Aryl thioethers Organic compounds Organosulfur compounds Thioethers Aryl thioethers Aromatic heteromonocyclic compounds Alkylarylthioethers Heteroaromatic compounds Hydrocarbon derivatives Sulfenyl compounds Thiophenes Alkylarylthioether Aromatic heteromonocyclic compound Aryl thioether Heteroaromatic compound Hydrocarbon derivative Organoheterocyclic compound Sulfenyl compound Thiophene logp 2.52 ALOGPS logs -2.48 ALOGPS solubility 4.30e-01 g/l ALOGPS logp 2.38 ChemAxon pka_strongest_basic -7.9 ChemAxon iupac 3-(methylsulfanyl)thiophene ChemAxon average_mass 130.231 ChemAxon mono_mass 129.991091572 ChemAxon smiles CSC1=CSC=C1 ChemAxon formula C5H6S2 ChemAxon inchi InChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3 ChemAxon inchikey OTYBVBDWIKXFDO-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 35.92 ChemAxon polarizability 13.58 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2913 Specdb::CMs 155548 Specdb::MsIr 5819 Specdb::MsIr 5820 Specdb::MsMs 103485 Specdb::MsMs 103486 Specdb::MsMs 103487 Specdb::MsMs 169536 Specdb::MsMs 169537 Specdb::MsMs 169538 Specdb::MsMs 2349949 Specdb::MsMs 2349950 Specdb::MsMs 2349951 Specdb::MsMs 2589598 Specdb::MsMs 2589599 Specdb::MsMs 2589600 HMDB32939 #<Reference:0x000055ce3200cef8>