1.0 2016-05-19 04:38:53 UTC 2026-08-22 15:33:12 UTC t-Butyl mercaptan SmallMolecule t-Butyl mercaptan is an organosulfur compound with the formula C4H10S and an average molecular weight of 90.18 g/mol. t-Butyl mercaptan belongs to the alkylthiols, a subclass of thiols within the organic compounds. This compound serves as an industrial nutrient and flavouring. It is associated with 18 recorded sources, including drinking water and water supply. In the category of household cleaning and consumer products, it is found in soap detergents, perfumes within detergents and soaps, and cigar cigarettes. Within the sector of food, food processing and cookware, it is linked to food preservation, fermentation processes for beer, and the preparation of vinegar, wine, or sparkling wine. Additionally, it is released from electrical and electronic equipment, specifically electrodes, discharge lamps, electric switches, electrically stimulated smoking devices, conductors or conductive bodies characterised by the conductive materials, and five other sources. The recorded exposure route for t-Butyl mercaptan is oral. 2-Methyl-2-propanethiol 2-methylpropane-2-thiol 2-Propanethiol, 2-methyl- C4H10S 90.18 90.050321496 2-methylpropane-2-thiol 2-methyl-2-propanethiol 75-66-1 CC(C)(C)S InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3 WMXCDAVJEZZYLT-UHFFFAOYSA-N Organic compounds Organosulfur compounds Thiols Alkylthiols Alkylthiols Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative Aliphatic acyclic compounds Detected and Not Quantified logp 1.5 logp 2.47 ALOGPS logs -1.65 ALOGPS solubility 2.01e+00 g/l ALOGPS logp 1.58 ChemAxon pka_strongest_acidic 10.02 ChemAxon iupac 2-methylpropane-2-thiol ChemAxon average_mass 90.18 ChemAxon mono_mass 90.050321496 ChemAxon smiles CC(C)(C)S ChemAxon formula C4H10S ChemAxon inchi InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3 ChemAxon inchikey WMXCDAVJEZZYLT-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 28.19 ChemAxon polarizability 10.86 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726306ed98> 6387 6147