1.0 2016-05-22 05:23:53 UTC 2026-08-24 01:43:13 UTC Thioxolone SmallMolecule Thioxolone is an organic compound with the chemical formula C7H4O3S and an average molecular weight of 168.17 g/mol. Thioxolone belongs to the 1-hydroxy-2-unsubstituted benzenoids, a subclass of phenols within the organic compounds. It is further classified as part of the benzenoids superclass. In industrial applications, thioxolone is utilized as an astringent. Regarding its biological activity, it is a recorded inhibitor of the protein target carbonic anhydrase 2 (CA2). The compound is found in or released from 15 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with amplifiers, coils, cores yokes or armatures, discharge lamps, and electric switches, among seven other items. In the building and construction sector, it is found in ladders. Additionally, it is released from other smoking requisites in household cleaning and consumer products, and is associated with the processing of meats in the food, food processing, and cookware category. tioxolone C7H4O3S 168.17 167.988115163 6-hydroxy-2H-1,3-benzoxathiol-2-one tioxolone 4991-65-5 OC1=CC2=C(SC(=O)O2)C=C1 InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H SLYPOVJCSQHITR-UHFFFAOYSA-N Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organic thiocarbonic acid derivatives Organooxygen compounds Oxacyclic compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Thiocarbonic acid derivative Aromatic heteropolycyclic compounds benzoxathiole Detected and Not Quantified logp 2.06 logp 1.97 ALOGPS logs -1.66 ALOGPS solubility 3.71e+00 g/l ALOGPS logp 2.06 ChemAxon pka_strongest_acidic 7.35 ChemAxon pka_strongest_basic -5.8 ChemAxon iupac 6-hydroxy-2H-1,3-benzoxathiol-2-one ChemAxon average_mass 168.17 ChemAxon mono_mass 167.988115163 ChemAxon smiles OC1=CC2=C(SC(=O)O2)C=C1 ChemAxon formula C7H4O3S ChemAxon inchi InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H ChemAxon inchikey SLYPOVJCSQHITR-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 40.96 ChemAxon polarizability 15.04 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7220e94078> DB13343 72139 65113 BE0000322