4-Oxo-4-(1,3-Thiazol-4-Yl)Butanenitrile

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Properties Simple | Detailed

Formula C7H6N2OS
IUPAC Name 4-oxo-4-thiazol-4-yl-butanenitrile
Molecular Mass 166.200 g·mol−1
Heat of Formation 106.5 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 193.98 Å 3
Surface Area 194.83 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(4-thiazolyl)-3-cyano-1-propanone
  • 4-keto-4-thiazol-4-yl-butyronitrile
  • 4-oxo-4-(4-thiazolyl)butanenitrile
  • 4-thiazolebutanenitrile, gamma-oxo-
  • 4-thiazolebutyronitrile, gamma-oxo-
  • gamma-oxo-4-thiazolebutyronitrile
CAS Number(s)
  • 77280-68-3
InChIKey ZDZHNYPJWSHHHT-UHFFFAOYSA-N
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