Toltrazuril

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Properties Simple | Detailed

Formula C18H14F3N3O4S
IUPAC Name 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
Molecular Mass 425.382 g·mol−1
Heat of Formation -1114.7 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 440.92 Å 3
Surface Area 389.14 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)-
  • 1-methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-triazine-2,4,6(1h,3h,5h)-trione
  • 1-methyl-3-[3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
  • 1-methyl-3-{3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl}-1,3,5-triazine-2,4,6(1h,3h,5h)-trione
  • bay-i 9142
  • baycox
  • d06187
  • toltrazuril (usan)
  • toltrazurilo [spanish]
  • toltrazurilum [latin]
CAS Number(s)
  • 69004-03-1
InChIKey OCINXEZVIIVXFU-UHFFFAOYSA-N
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