1.0 2016-05-19 02:13:50 UTC 2026-08-23 07:33:11 UTC (+/-)-4-MERCAPTO-4-METHYL-2-PENTANOL SmallMolecule (+/-)-4-MERCAPTO-4-METHYL-2-PENTANOL is an organic compound with the formula C6H14OS and an average molecular weight of 134.24 g/mol. (+/-)-4-MERCAPTO-4-METHYL-2-PENTANOL belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This compound serves industrial roles as a nutrient and a flavouring agent. It is released from or found in two recorded sources related to food, food processing, and cookware, specifically during the treatment of hops and the preparation of vinegar. C6H14OS 134.24 134.07653576 4-methyl-4-sulfanylpentan-2-ol 4-methyl-4-sulfanylpentan-2-ol 31539-84-1 CC(O)CC(C)(C)S InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 FDBQLLMYSACLPB-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Secondary alcohols Alkylthiols Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative Organosulfur compound Secondary alcohol Aliphatic acyclic compounds Detected and Not Quantified logp 1.2 logp 1.95 ALOGPS logs -1.67 ALOGPS solubility 2.89e+00 g/l ALOGPS logp 1.01 ChemAxon pka_strongest_acidic 9.97 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 4-methyl-4-sulfanylpentan-2-ol ChemAxon average_mass 134.24 ChemAxon mono_mass 134.07653576 ChemAxon smiles CC(O)CC(C)(C)S ChemAxon formula C6H14OS ChemAxon inchi InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 ChemAxon inchikey FDBQLLMYSACLPB-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 39.02 ChemAxon polarizability 15.46 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226414070> 6429308