1.02010-04-08 22:04:43 UTC2015-07-20 21:34:37 UTCFDB0008042-MethylbenzenethiolFlavouring ingredient2-Mercapto-toluene2-Methyl-benzenethiol2-Methylphenylthiol2-Methylthiophenol2-Thiocresol2-ToluenethiolBenzenethiol, 2-methyl-FEMA 3240o-MercaptotolueneO-methylbenzenethiolo-Methylthiophenolo-ThiocresolO-toluenethiolo-Toluenethiol, 8CIO-tolyl mercaptanO-TolylmercaptanO-TolylthiolToluene-2-thiolToluene, 2-mercapto-Toluenethiol, o-Tolylmercaptan, o-Tolylthiol, o-C7H8S124.203124.0346709462-methylbenzene-1-thiol2-methylbenzenethiol137-06-4CC1=C(S)C=CC=C1InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3LXUNZSDDXMPKLP-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.ThiophenolsOrganic compoundsBenzenoidsThiophenolsAromatic homomonocyclic compoundsHydrocarbon derivativesThiolsToluenesAromatic homomonocyclic compoundArylthiolHydrocarbon derivativeMonocyclic benzene moietyOrganosulfur compoundThiophenolTolueneLiquidlogp2.74logs-2.54solubility3.54e-01 g/lmelting_pointMp 15°logp2.58pka_strongest_acidic6.78iupac2-methylbenzene-1-thiolaverage_mass124.203mono_mass124.034670946smilesCC1=C(S)C=CC=C1formulaC7H8SinchiInChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3inchikeyLXUNZSDDXMPKLP-UHFFFAOYSA-Npolar_surface_area0refractivity39.11polarizability13.89rotatable_bond_count0acceptor_count0donor_count1physiological_charge-1formal_charge0Specdb::CMs12615Specdb::CMs137063Specdb::CMs144797Specdb::MsIr3509Specdb::MsIr3510Specdb::MsIr3511Specdb::MsMs98283Specdb::MsMs98284Specdb::MsMs98285Specdb::MsMs163173Specdb::MsMs163174Specdb::MsMs163175Specdb::MsMs2463909Specdb::MsMs2463910Specdb::MsMs2463911Specdb::MsMs2501930Specdb::MsMs2501931Specdb::MsMs2501932HMDB29634#<Reference:0x000055567456d4c8>egggarlicmeatyonionrubbersulfurous