1.02010-04-08 22:15:19 UTC2019-11-26 03:19:35 UTCFDB0208722-Pentanethiol(s)-2-pentanethiol is a member of the class of compounds known as alkylthiols. Alkylthiols are organic compounds containing the thiol functional group linked to an alkyl chain (s)-2-pentanethiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-2-pentanethiol can be found in fruits, which makes (s)-2-pentanethiol a potential biomarker for the consumption of this food product. 1-Methylbutanethiol1-Methylbutyl hydrosulfide2-Mercaptopentane2-PentylthiolAmyl mercaptan, sec-Pentane-2-thiolsec-Amyl mercaptanC5H12S104.214104.065971074pentane-2-thiol2-pentanethiol2084-19-7CCCC(C)SInChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3QUSTYFNPKBDELJ-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 derivativesAliphatic acyclic compoundAlkylthiolHydrocarbon derivativeliquidlogp3.07logs-2.21solubility6.45e-01 g/lmelting_point-169 oClogp2.37pka_strongest_acidic10.09pka_strongest_basic-9.7iupacpentane-2-thiolaverage_mass104.214mono_mass104.065971074smilesCCCC(C)SformulaC5H12SinchiInChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3inchikeyQUSTYFNPKBDELJ-UHFFFAOYSA-Npolar_surface_area0refractivity32.63polarizability12.96rotatable_bond_count2acceptor_count0donor_count1physiological_charge0formal_charge0Specdb::CMs18826Specdb::CMs165022Specdb::MsIr9119Specdb::MsIr9120Specdb::MsIr9121Specdb::MsMs99771Specdb::MsMs99772Specdb::MsMs99773Specdb::MsMs164955Specdb::MsMs164956Specdb::MsMs164957Specdb::MsMs2819043Specdb::MsMs2819044Specdb::MsMs2819045Specdb::MsMs2890312Specdb::MsMs2890313Specdb::MsMs2890314GuavaType 1specificPsidium guajava120290gassysulfury