1.0 2016-05-22 06:52:55 UTC 2026-08-19 23:03:13 UTC Toltrazuril sulfone SmallMolecule Toltrazuril sulfone is an organic compound with the chemical formula C18H14F3N3O6S and an average molecular weight of 457.38 g/mol. Toltrazuril sulfone belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been identified in or released from 24 recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, amplifiers, auxiliary devices, coils, and colour television systems, among nine other sources. In the sector of building and construction, it is associated with roofs, floors, stairs and ramps, tents or canopies, and sunshades awnings or outside screens. Its presence is also noted in household cleaning and consumer products, specifically in tobacco pipes, pipe accessories, and non electric simulated smoking devices. Additionally, the compound is linked to food, food processing and cookware, including the processing of fish and the preparation of wine or sparkling wine. C18H14F3N3O6S 457.38 457.055540846 6-hydroxy-1-methyl-3-[3-methyl-4-(4-trifluoromethanesulfonylphenoxy)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione 6-hydroxy-1-methyl-3-[3-methyl-4-(4-trifluoromethanesulfonylphenoxy)phenyl]-1,3,5-triazine-2,4-dione 69004-04-2 CN1C(O)=NC(=O)N(C2=CC=C(OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F)C(C)=C2)C1=O InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26) VBUNOIXRZNJNAD-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Diphenylethers 1,3,5-triazines Alkyl fluorides Azacyclic compounds Benzenesulfonyl compounds Diarylethers Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Phenol ethers Phenoxy compounds Sulfones Toluenes Triazinones Trihalomethanes Ureas 1,3,5-triazine Alkyl fluoride Alkyl halide Aromatic heteromonocyclic compound Azacycle Benzenesulfonyl group Diaryl ether Diphenylether Ether Halomethane Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenol ether Phenoxy compound Sulfone Sulfonyl Toluene Triazine Triazinone Trihalomethane Urea Aromatic heteromonocyclic compounds Detected and Not Quantified logp 4.03 logp 3.12 ALOGPS logs -4.84 ALOGPS solubility 6.55e-03 g/l ALOGPS logp 4.4 ChemAxon pka_strongest_acidic 2.89 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-hydroxy-1-methyl-3-[3-methyl-4-(4-trifluoromethanesulfonylphenoxy)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione ChemAxon average_mass 457.38 ChemAxon mono_mass 457.055540846 ChemAxon smiles CN1C(O)=NC(=O)N(C2=CC=C(OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F)C(C)=C2)C1=O ChemAxon formula C18H14F3N3O6S ChemAxon inchi InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26) ChemAxon inchikey VBUNOIXRZNJNAD-UHFFFAOYSA-N ChemAxon polar_surface_area 116.58 ChemAxon refractivity 99.74 ChemAxon polarizability 39.4 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf33521c8> DB11452 3050408 2312474