2-(Trifluoromethyl)-4-(3,4,4-Trimethyl-5-Oxo-2-Thioxo-1-Imidazolidinyl)Benzonitrile

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Formula C14H12F3N3OS
IUPAC Name 2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-thioxo-imidazolidin-1-yl)benzonitrile
Molecular Mass 327.325 g·mol−1
Heat of Formation -530.1 ± 16.7 kJ·mol−1
Dipole Moment 11.08 ± 1.08 D
Volume 357.45 Å 3
Surface Area 306.15 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-sulfanylidene-imidazolidin-1-yl)benzonitrile
  • 4-(3,4,4-trimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile
  • 4-(5-keto-3,4,4-trimethyl-2-thioxo-imidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
  • benzonitrile, 2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-
  • ru 56187
  • ru-56187
CAS Number(s)
  • 143782-25-6
InChIKey HLBUAKQNKJTEIU-UHFFFAOYSA-N
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