1.0 2010-04-08 22:15:42 UTC 2019-11-26 03:20:24 UTC FDB021446 (S)-2-Pentanethiol Component of guava flavour (Psidium guajava). (S)-2-Pentanethiol is found in fruits. C5H12S 104.214 104.065971074 (2S)-pentane-2-thiol (2S)-pentane-2-thiol 110503-18-9 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 logp 2.37 ChemAxon pka_strongest_acidic 10.09 ChemAxon iupac (2S)-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 HMDB41010 #<Reference:0x000055ce32050608> Fruits Unknown generic