1.0 2010-04-08 22:15:19 UTC 2025-11-19 02:34:14 UTC FDB020872 2-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-Methylbutanethiol 1-Methylbutyl hydrosulfide 2-Mercaptopentane 2-Pentylthiol Amyl mercaptan, sec- Pentane-2-thiol sec-Amyl mercaptan C5H12S 104.214 104.065971074 pentane-2-thiol 2-pentanethiol 2084-19-7 CCCC(C)S InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 QUSTYFNPKBDELJ-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. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative liquid logp 3.07 ALOGPS logs -2.21 ALOGPS solubility 6.45e-01 g/l ALOGPS melting_point -169 oC logp 2.37 ChemAxon pka_strongest_acidic 10.09 ChemAxon pka_strongest_basic -9.7 ChemAxon iupac pentane-2-thiol ChemAxon average_mass 104.214 ChemAxon mono_mass 104.065971074 ChemAxon smiles CCCC(C)S ChemAxon formula C5H12S ChemAxon inchi InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3 ChemAxon inchikey QUSTYFNPKBDELJ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 32.63 ChemAxon polarizability 12.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18826 Specdb::CMs 165022 Specdb::MsIr 9119 Specdb::MsIr 9120 Specdb::MsIr 9121 Specdb::MsMs 99771 Specdb::MsMs 99772 Specdb::MsMs 99773 Specdb::MsMs 164955 Specdb::MsMs 164956 Specdb::MsMs 164957 Specdb::MsMs 2819043 Specdb::MsMs 2819044 Specdb::MsMs 2819045 Specdb::MsMs 2890312 Specdb::MsMs 2890313 Specdb::MsMs 2890314 HMDB0041010 Guava Type 1 specific Psidium guajava 120290 gassy sulfury