1.0 2016-05-22 05:51:36 UTC 2026-08-18 06:01:09 UTC Anethole trithione SmallMolecule Anethole trithione is an organic compound with the chemical formula $\text{C}_{10}\text{H}_{8}\text{OS}_{3}$ and an average molecular weight of 240.35 g/mol. Anethole trithione belongs to the anisoles, a subclass of phenol ethers within the organic compounds. This compound is classified as a benzenoid. The substance is identified as an inhibitor of the protein target Protein-glutamine gamma-glutamyltransferase 2 (TGM2). Regarding its environmental and commercial presence, anethole trithione is found in or released from 11 recorded sources. Within the category of electrical and electronic equipment, it is associated with electrodes, power cables, hybrid capacitors, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. In the realm of healthcare, pharmaceuticals, and veterinary products, it is linked to alimentary tract and metabolism products. It is also found in building and construction materials, specifically stairs and ramps. Furthermore, it appears in household cleaning and consumer products, including tobacco smoke filters, non-electric simulated smoking devices, and bleaching agents. The recorded route of exposure for this compound is oral. C10H8OS3 240.35 239.9737284 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione halpen 532-11-6 COC1=CC=C(C=C1)C1=CC(=S)SS1 InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3 KYLIZBIRMBGUOP-UHFFFAOYSA-N Organic compounds Benzenoids Phenol ethers Anisoles Anisoles 1,2-dithiole-3-thiones Alkyl aryl ethers Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organosulfur compounds Phenoxy compounds 1,2-dithiole 1,2-dithiole-3-thione Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Dithiole Ether Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organosulfur compound Phenoxy compound Aromatic heteromonocyclic compounds Detected and Not Quantified Anethole trithione Drug Metabolism Action Pathway SMP0145017 logp 3.29 logp 3.58 ALOGPS logs -4.44 ALOGPS solubility 8.79e-03 g/l ALOGPS logp 3.29 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione ChemAxon average_mass 240.35 ChemAxon mono_mass 239.9737284 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=S)SS1 ChemAxon formula C10H8OS3 ChemAxon inchi InChI=1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3 ChemAxon inchikey KYLIZBIRMBGUOP-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 70.15 ChemAxon polarizability 24.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7221f2fc98> DB13853 2194 2109 BE0001035