1.02010-04-08 22:14:38 UTC2018-05-28 19:55:11 UTCFDB0198563-MethylthiohexanolFlavouring ingredient3-(Methylthio)-1-hexanol3-MethylthiohexanolFEMA 3438R-3-(methylthio)-1-HexanolC7H16OS148.266148.0921858243-(methylsulfanyl)hexan-1-ol3-(methylsulfanyl)hexan-1-ol90180-89-5CCCC(CCO)SCInChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3JSASXSHMJYRPCM-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.DialkylthioethersOrganic compoundsOrganosulfur compoundsThioethersDialkylthioethersAliphatic acyclic compoundsHydrocarbon derivativesPrimary alcoholsSulfenyl compoundsAlcoholAliphatic acyclic compoundDialkylthioetherHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPrimary alcoholSulfenyl compoundlogp2.41logs-2.30solubility7.36e-01 g/llogp1.77pka_strongest_acidic15.94pka_strongest_basic-2.4iupac3-(methylsulfanyl)hexan-1-olaverage_mass148.266mono_mass148.092185824smilesCCCC(CCO)SCformulaC7H16OSinchiInChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3inchikeyJSASXSHMJYRPCM-UHFFFAOYSA-Npolar_surface_area20.23refractivity43.69polarizability17.8rotatable_bond_count5acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsIr8704Specdb::MsIr8705Specdb::MsIr8706Specdb::CMs16245Specdb::CMs29275Specdb::CMs46691Specdb::CMs102043Specdb::CMs170550Specdb::MsMs59343Specdb::MsMs59344Specdb::MsMs59345Specdb::MsMs115461Specdb::MsMs115462Specdb::MsMs115463Specdb::MsMs2321140Specdb::MsMs2321141Specdb::MsMs2321142Specdb::MsMs2614432Specdb::MsMs2614433Specdb::MsMs2614434HMDB40153#<Reference:0x000055567409c070>greenleafymelonmetallicpeppersulfurousvegetable