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

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Properties Simple | Detailed

Formula C17H18F3N3O2S
IUPAC Name 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular Mass 385.404 g·mol−1
Heat of Formation -773.5 ± 16.7 kJ·mol−1
Dipole Moment 11.08 ± 1.08 D
Volume 431.7 Å 3
Surface Area 358.66 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylidene-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
  • 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
  • 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile
  • 4-[3-(4-hydroxybutyl)-5-keto-4,4-dimethyl-2-thioxo-imidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
  • benzonitrile, 4-(3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)-
  • ru 59063
  • ru-59063
CAS Number(s)
  • 155180-53-3
InChIKey FIDNKDVRTLFETI-UHFFFAOYSA-N
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