1.0 2010-04-08 22:09:23 UTC 2019-11-26 03:04:23 UTC FDB010964 2,3-Dimethylthiophene Odorant used in food flavouring. 2,3-Dimethylthiophene is found in garden onion. 2,3-Dimethyl-thiophene Thiophene, 2,3-dimethyl- C6H8S 112.193 112.034670946 2,3-dimethylthiophene thiophene, 2,3-dimethyl- 632-16-6 CC1=C(C)C=CS1 InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3 BZYUMXXOAYSFOW-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 2.70 ALOGPS logs -2.32 ALOGPS solubility 5.37e-01 g/l ALOGPS melting_point Fp -49° logp 2.91 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 2,3-dimethylthiophene ChemAxon average_mass 112.193 ChemAxon mono_mass 112.034670946 ChemAxon smiles CC1=C(C)C=CS1 ChemAxon formula C6H8S ChemAxon inchi InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3 ChemAxon inchikey BZYUMXXOAYSFOW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 33.26 ChemAxon polarizability 12.67 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5868 Specdb::MsIr 5869 Specdb::CMs 23810 Specdb::CMs 148227 Specdb::MsMs 58170 Specdb::MsMs 58171 Specdb::MsMs 58172 Specdb::MsMs 114036 Specdb::MsMs 114037 Specdb::MsMs 114038 Specdb::MsMs 2339457 Specdb::MsMs 2339458 Specdb::MsMs 2339459 Specdb::MsMs 2626019 Specdb::MsMs 2626020 Specdb::MsMs 2626021 HMDB32977 #<Reference:0x000055ce3262d508> Garden onion Type 1 specific Allium cepa 4679