1.0 2016-05-22 03:59:44 UTC 2026-08-18 09:18:45 UTC Polythiazide SmallMolecule Polythiazide is an organic compound with the chemical formula C11H13ClF3N3O4S3 and an average molecular weight of 439.88 g/mol. Polythiazide belongs to the benzothiadiazines, a subclass of thiadiazines within the organic compounds. In terms of biological activity, it acts as an inhibitor of the protein target Solute carrier family 12 member 3 (SLC12A3). The compound is associated with eight recorded sources across several categories. Within healthcare, pharmaceuticals, and veterinary products, it is found in diuretics and gynecologicals. It is also released from household cleaning and consumer products, including perfumes within detergents and soaps, tobacco smoke filters, cigar cigarettes, and other smoking requisites. Additionally, it is present in electrical and electronic equipment, specifically in antennas and electrically stimulated smoking devices. The recorded route of exposure for this compound is oral. C11H13ClF3N3O4S3 439.882 438.970880311 6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide polythiazide 346-18-9 CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20) CYLWJCABXYDINA-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Thiadiazines Benzothiadiazines 1,2,4-benzothiadiazine-1,1-dioxides Alkyl fluorides Aminosulfonyl compounds Aryl chlorides Azacyclic compounds Benzenoids Dialkylthioethers Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds Organosulfonamides Secondary alkylarylamines Sulfenyl compounds 1,2,4-benzothiadiazine-1,1-dioxide Alkyl fluoride Alkyl halide Amine Aminosulfonyl compound Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Dialkylthioether Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organochloride Organofluoride Organohalogen compound Organonitrogen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Secondary aliphatic/aromatic amine Secondary amine Sulfenyl compound Sulfonyl Thioether Aromatic heteropolycyclic compounds benzothiadiazine Detected and Not Quantified Polythiazide Action Pathway SMP0000080 Polythiazide Diuretic Action Pathway SMP0123144 Polythiazide Drug Metabolism SMP0130761 Polythiazide Drug Metabolism Action Pathway SMP0143704 logp 1.1 logp 2.13 ALOGPS logs -3.22 ALOGPS solubility 2.64e-01 g/l ALOGPS logp 1.1 ChemAxon pka_strongest_acidic 9.31 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-7-sulfonamide ChemAxon average_mass 439.882 ChemAxon mono_mass 438.970880311 ChemAxon smiles CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O ChemAxon formula C11H13ClF3N3O4S3 ChemAxon inchi InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20) ChemAxon inchikey CYLWJCABXYDINA-UHFFFAOYSA-N ChemAxon polar_surface_area 109.57 ChemAxon refractivity 90.52 ChemAxon polarizability 37.56 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3b89390> DB01324 4870 4704 BE0000419