1.0 2010-04-08 22:08:13 UTC 2019-11-26 03:03:01 UTC FDB008717 2,6-Dimethylbenzenethiol Present in boiled beef. Flavouring ingredient. 2,6-Dimethylbenzenethiol is found in animal foods. 2-Mercapto-m-xylene 2,6-dimethyl thiophenol 2,6-Dimethyl-benzenethiol 2,6-Dimethylphenylthiol 2,6-Dimethylthiophenol 2,6-Thioxylenol 2,6-Xylenethiol 2,6-Xylenethiol, 8CI 2,6-Xylyl mercaptan Benzenethiol, 2,6-dimethyl- FEMA 3666 m-Xylene-2-thiol C8H10S 138.23 138.05032101 2,6-dimethylbenzene-1-thiol 2,6-dimethylbenzenethiol 118-72-9 CC1=CC=CC(C)=C1S InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 QCLJODDRBGKIRW-UHFFFAOYSA-N belongs to the class of organic compounds known as thiophenols. Thiophenols are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom. Thiophenols Organic compounds Benzenoids Thiophenols Aromatic homomonocyclic compounds Hydrocarbon derivatives Thiols m-Xylenes Aromatic homomonocyclic compound Arylthiol Hydrocarbon derivative M-xylene Monocyclic benzene moiety Organosulfur compound Thiophenol Xylene logp 3.05 ALOGPS logs -3.01 ALOGPS solubility 1.35e-01 g/l ALOGPS logp 3.09 ChemAxon pka_strongest_acidic 6.9 ChemAxon iupac 2,6-dimethylbenzene-1-thiol ChemAxon average_mass 138.23 ChemAxon mono_mass 138.05032101 ChemAxon smiles CC1=CC=CC(C)=C1S ChemAxon formula C8H10S ChemAxon inchi InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 ChemAxon inchikey QCLJODDRBGKIRW-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 44.15 ChemAxon polarizability 15.86 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5011 Specdb::MsIr 5012 Specdb::MsIr 5013 Specdb::CMs 13203 Specdb::CMs 131529 Specdb::CMs 139263 Specdb::MsMs 91218 Specdb::MsMs 91219 Specdb::MsMs 91220 Specdb::MsMs 154560 Specdb::MsMs 154561 Specdb::MsMs 154562 Specdb::MsMs 2314445 Specdb::MsMs 2314446 Specdb::MsMs 2314447 Specdb::MsMs 2621327 Specdb::MsMs 2621328 Specdb::MsMs 2621329 HMDB32019 #<Reference:0x000055ce31e2c228> meaty metallic phenolic roasted sulfurous sulfury