1.0 2010-04-08 22:14:43 UTC 2015-07-21 06:41:06 UTC FDB019976 2-Methyl-5-(methylthio)thiophene Component of thermally degraded thiamine flavours 2-Methyl-5-(methylthio)thiophene C6H8S2 144.258 144.006741636 2-methyl-5-(methylsulfanyl)thiophene 2-methyl-5-(methylsulfanyl)thiophene CSC1=CC=C(C)S1 InChI=1S/C6H8S2/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3 VSUGUKXAAPOFPQ-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 2,5-disubstituted thiophenes Alkylarylthioethers Heteroaromatic compounds Hydrocarbon derivatives Sulfenyl compounds 2,5-disubstituted thiophene Alkylarylthioether Aromatic heteromonocyclic compound Aryl thioether Heteroaromatic compound Hydrocarbon derivative Organoheterocyclic compound Sulfenyl compound Thiophene logp 3.04 ALOGPS logs -2.77 ALOGPS solubility 2.45e-01 g/l ALOGPS logp 3.19 ChemAxon pka_strongest_basic -8 ChemAxon iupac 2-methyl-5-(methylsulfanyl)thiophene ChemAxon average_mass 144.258 ChemAxon mono_mass 144.006741636 ChemAxon smiles CSC1=CC=C(C)S1 ChemAxon formula C6H8S2 ChemAxon inchi InChI=1S/C6H8S2/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3 ChemAxon inchikey VSUGUKXAAPOFPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 40.14 ChemAxon polarizability 15.75 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9958 Specdb::CMs 134315 Specdb::CMs 142049 Specdb::MsIr 8858 Specdb::MsIr 8859 Specdb::MsMs 288028 Specdb::MsMs 288029 Specdb::MsMs 288030 Specdb::MsMs 327013 Specdb::MsMs 327014 Specdb::MsMs 327015 Specdb::MsMs 2810624 Specdb::MsMs 2810625 Specdb::MsMs 2810626 Specdb::MsMs 2895341 Specdb::MsMs 2895342 Specdb::MsMs 2895343 HMDB40259 #<Reference:0x000055ce31615918>