The Toltrazuril sulfone, with the CAS registry number 69004-04-2, is also known as 1-Methyl-3-(4-(p-((trifluoromethyl)sulfonyl)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione. This chemical's molecular formula is C₁₈H₁₄F₃N₃O₆S and molecular weight is 457.38047. Its IUPAC name is called 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione.

Physical properties of Toltrazuril sulfone: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 52.13; (5)ACD/BCF (pH 7.4): 6.49; (6)ACD/KOC (pH 5.5): 572.86; (7)ACD/KOC (pH 7.4): 71.35; (8)#H bond acceptors: 9; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 99.87 cm³; (13)Molar Volume: 303.3 cm³; (14)Surface Tension: 49.1 dyne/cm; (15)Density: 1.507 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F
(2)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)
(3)InChIKey: VBUNOIXRZNJNAD-UHFFFAOYSA-N