1.0 2010-04-08 22:09:23 UTC 2019-11-26 03:04:24 UTC FDB010965 2,4-Dimethylthiophene Constituent of Allium subspecies. Also found in various cooked foods. Odorant used in food flavouring. 2,4-Dimethyl-thiophene Thiophene, 2,4-dimethyl- C6H8S 112.193 112.034670946 2,4-dimethylthiophene thiophene, 2,4-dimethyl- 638-00-6 CC1=CC(C)=CS1 InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3 CPULIKNSOUFMPL-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 Hydrocarbon derivatives Thiophenes Aromatic heteromonocyclic compound Heteroaromatic compound Hydrocarbon derivative Thiophene logp 2.69 ALOGPS logs -2.32 ALOGPS solubility 5.43e-01 g/l ALOGPS logp 2.91 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 2,4-dimethylthiophene ChemAxon average_mass 112.193 ChemAxon mono_mass 112.034670946 ChemAxon smiles CC1=CC(C)=CS1 ChemAxon formula C6H8S ChemAxon inchi InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3 ChemAxon inchikey CPULIKNSOUFMPL-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 33.26 ChemAxon polarizability 12.8 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23374 Specdb::CMs 153107 Specdb::MsIr 5870 Specdb::MsIr 5871 Specdb::MsMs 72177 Specdb::MsMs 72178 Specdb::MsMs 72179 Specdb::MsMs 131010 Specdb::MsMs 131011 Specdb::MsMs 131012 Specdb::MsMs 2429065 Specdb::MsMs 2429066 Specdb::MsMs 2429067 Specdb::MsMs 2507152 Specdb::MsMs 2507153 Specdb::MsMs 2507154 HMDB32978 #<Reference:0x000055ce323688e0> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875