1.02010-04-08 22:10:43 UTC2019-11-26 03:08:26 UTCFDB0134533-Mercapto-2-methylpentanolAroma constituent of cut, raw onion. Powerful flavour compound. 3-Mercapto-2-methylpentanol is found in onion-family vegetables.C6H14OS134.24134.076535762-methyl-3-sulfanylpentan-1-ol2-methyl-3-sulfanylpentan-1-ol227456-27-1CCC(S)C(C)COInChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3HABNNYNSJFKZFE-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.AlkylthiolsOrganic compoundsOrganosulfur compoundsThiolsAlkylthiolsAliphatic acyclic compoundsHydrocarbon derivativesPrimary alcoholsAlcoholAliphatic acyclic compoundAlkylthiolHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPrimary alcohollogp2.17logs-1.75solubility2.36e+00 g/llogp1.42pka_strongest_acidic10.02pka_strongest_basic-2.6iupac2-methyl-3-sulfanylpentan-1-olaverage_mass134.24mono_mass134.07653576smilesCCC(S)C(C)COformulaC6H14OSinchiInChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3inchikeyHABNNYNSJFKZFE-UHFFFAOYSA-Npolar_surface_area20.23refractivity38.86polarizability15.6rotatable_bond_count3acceptor_count1donor_count2physiological_charge0formal_charge0Specdb::CMs15523Specdb::CMs44069Specdb::CMs171504Specdb::NmrOneD128048Specdb::NmrOneD128049Specdb::NmrOneD128050Specdb::NmrOneD128051Specdb::NmrOneD128052Specdb::NmrOneD128053Specdb::NmrOneD128054Specdb::NmrOneD128055Specdb::NmrOneD128056Specdb::NmrOneD128057Specdb::NmrOneD128058Specdb::NmrOneD128059Specdb::NmrOneD128060Specdb::NmrOneD128061Specdb::NmrOneD128062Specdb::NmrOneD128063Specdb::NmrOneD128064Specdb::NmrOneD128065Specdb::NmrOneD128066Specdb::NmrOneD128067Specdb::MsMs106794Specdb::MsMs106795Specdb::MsMs106796Specdb::MsMs173628Specdb::MsMs173629Specdb::MsMs173630Specdb::MsMs2809271Specdb::MsMs2809272Specdb::MsMs2809273Specdb::MsMs2900433Specdb::MsMs2900434Specdb::MsMs2900435HMDB34878#<Reference:0x0000555675a53db0>Garden onionType 1specificAllium cepa4679Garden onion (var.)Type 1specificAllium cepa var. cepa4679Green onionType 1Onion-family vegetablesUnknowngenericRed onionType 1Welsh onionType 1specificAllium fistulosum35875onionsulfurous