1.0 2010-04-08 22:10:43 UTC 2019-11-26 03:08:26 UTC FDB013453 3-Mercapto-2-methylpentanol Aroma constituent of cut, raw onion. Powerful flavour compound. 3-Mercapto-2-methylpentanol is found in onion-family vegetables. C6H14OS 134.24 134.07653576 2-methyl-3-sulfanylpentan-1-ol 2-methyl-3-sulfanylpentan-1-ol 227456-27-1 CCC(S)C(C)CO InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3 HABNNYNSJFKZFE-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 Primary alcohols Alcohol Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol logp 2.17 ALOGPS logs -1.75 ALOGPS solubility 2.36e+00 g/l ALOGPS logp 1.42 ChemAxon pka_strongest_acidic 10.02 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-methyl-3-sulfanylpentan-1-ol ChemAxon average_mass 134.24 ChemAxon mono_mass 134.07653576 ChemAxon smiles CCC(S)C(C)CO ChemAxon formula C6H14OS ChemAxon inchi InChI=1S/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3 ChemAxon inchikey HABNNYNSJFKZFE-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 38.86 ChemAxon polarizability 15.6 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15523 Specdb::CMs 44069 Specdb::CMs 171504 Specdb::MsMs 106794 Specdb::MsMs 106795 Specdb::MsMs 106796 Specdb::MsMs 173628 Specdb::MsMs 173629 Specdb::MsMs 173630 Specdb::MsMs 2809271 Specdb::MsMs 2809272 Specdb::MsMs 2809273 Specdb::MsMs 2900433 Specdb::MsMs 2900434 Specdb::MsMs 2900435 Specdb::NmrOneD 128048 Specdb::NmrOneD 128049 Specdb::NmrOneD 128050 Specdb::NmrOneD 128051 Specdb::NmrOneD 128052 Specdb::NmrOneD 128053 Specdb::NmrOneD 128054 Specdb::NmrOneD 128055 Specdb::NmrOneD 128056 Specdb::NmrOneD 128057 Specdb::NmrOneD 128058 Specdb::NmrOneD 128059 Specdb::NmrOneD 128060 Specdb::NmrOneD 128061 Specdb::NmrOneD 128062 Specdb::NmrOneD 128063 Specdb::NmrOneD 128064 Specdb::NmrOneD 128065 Specdb::NmrOneD 128066 Specdb::NmrOneD 128067 HMDB34878 #<Reference:0x000055ce32a7c0c8> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875 onion sulfurous