1.0 2016-06-03 13:20:14 UTC 2026-08-22 20:08:00 UTC mercaptoacetic acid, monoester with propane-1,2,3-triol SmallMolecule mercaptoacetic acid, monoester with propane-1,2,3-triol belongs to the monoradylglycerols, a subclass of glycerolipids within the organic compounds. This compound has the formula C5H10O4S and an average molecular weight of 166.19 g/mol. Industrially, it is utilized for hair straightening or waving. It has been recorded in one source, specifically drinking water and water supply, with oral exposure as the recorded route. C5H10O4S 166.19 166.029979976 2,3-dihydroxypropyl 2-sulfanylacetate 2,3-dihydroxypropyl sulfanylacetate 30618-84-9 OCC(O)COC(=O)CS InChI=1S/C5H10O4S/c6-1-4(7)2-9-5(8)3-10/h4,6-7,10H,1-3H2 DOGJSOZYUGJVKS-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1-monoacylglycerols 1,2-diols Alkylthiols Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols 1,2-diol 1-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Alkylthiol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Primary alcohol Secondary alcohol Aliphatic acyclic compounds Detected and Not Quantified logp -0.7 logp -0.33 ALOGPS logs -0.92 ALOGPS solubility 2.02e+01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,3-dihydroxypropyl 2-sulfanylacetate ChemAxon average_mass 166.19 ChemAxon mono_mass 166.029979976 ChemAxon smiles OCC(O)COC(=O)CS ChemAxon formula C5H10O4S ChemAxon inchi InChI=1S/C5H10O4S/c6-1-4(7)2-9-5(8)3-10/h4,6-7,10H,1-3H2 ChemAxon inchikey DOGJSOZYUGJVKS-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 37.5 ChemAxon polarizability 15.84 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224e34390> 3034372 2298847