1.0 2016-05-22 03:31:16 UTC 2026-08-18 21:18:04 UTC Bithionol SmallMolecule Bithionol is an organic compound with the chemical formula C12H6Cl4O2S and an average molecular weight of 356.05 g/mol. Bithionol belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This compound is associated with 11 recorded sources across several sectors. Within healthcare, pharmaceuticals, and veterinary products, it is found in antibiotics. In the realm of household cleaning and consumer products, it is present in soap detergents, bleaching agents, and perfumes within detergents and soaps. Its use in food, food processing, and cookware includes food preservation, processing meats, and fermentation processes for beer. Additionally, it is released from electrical and electronic equipment, specifically electrodes, radio transmission systems, amplifiers, and conductors or conductive bodies characterised by the conductive materials. Recorded exposure routes for this substance include oral and inhalation. At the molecular level, bithionol acts on four recorded protein targets. It functions as an inhibitor of the estrogen receptor (ESR1), the estrogen receptor beta (ESR2), the calpain-2 catalytic subunit (CAPN2), and the induced myeloid leukemia cell differentiation protein Mcl-1 (MCL1). 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)sulfanyl]phenol C12H6Cl4O2S 356.052 353.884260954 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)sulfanyl]phenol bitin 97-18-7 OC1=C(SC2=C(O)C(Cl)=CC(Cl)=C2)C=C(Cl)C=C1Cl InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H JFIOVJDNOJYLKP-UHFFFAOYSA-N Organic compounds Organosulfur compounds Thioethers Aryl thioethers Diarylthioethers Aryl chlorides Dichlorobenzenes Hydrocarbon derivatives O-chlorophenols Organochlorides Organooxygen compounds P-chlorophenols Sulfenyl compounds Thiophenol ethers 1,3-dichlorobenzene 2-chlorophenol 2-halophenol 4-chlorophenol 4-halophenol Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzenoid Chlorobenzene Diarylthioether Halobenzene Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Phenol Sulfenyl compound Thiophenol ether Aromatic homomonocyclic compounds aryl sulfide bridged diphenyl antifungal drug bridged diphenyl fungicide dichlorobenzene organochlorine pesticide polyphenol Detected and Not Quantified Bithionol Drug Metabolism SMP0130742 Bithionol Drug Metabolism Action Pathway SMP0143905 logp 5.97 logp 6.12 ALOGPS logs -5.33 ALOGPS solubility 1.66e-03 g/l ALOGPS logp 5.97 ChemAxon pka_strongest_acidic 4.89 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)sulfanyl]phenol ChemAxon average_mass 356.052 ChemAxon mono_mass 353.884260954 ChemAxon smiles OC1=C(SC2=C(O)C(Cl)=CC(Cl)=C2)C=C(Cl)C=C1Cl ChemAxon formula C12H6Cl4O2S ChemAxon inchi InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H ChemAxon inchikey JFIOVJDNOJYLKP-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 81.92 ChemAxon polarizability 31.3 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722792a6f8> DB04813 2406 2313 BE0000123 BE0000792 BE0003511 BE0012693