2-(4-Isothiocyanatophenyl)-3-Phenyl-1H-Inden-1-One

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Properties Simple | Detailed

Formula C22H13NOS
IUPAC Name 2-(4-isothiocyanatophenyl)-3-phenyl-inden-1-one
Molecular Mass 339.410 g·mol−1
Heat of Formation 421.6 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 396.36 Å 3
Surface Area 351.15 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-inden-1-one, 2-(4-isothiocyanatophenyl)-3-phenyl-
  • 2-(4-isothiocyanatophenyl)-3-phenyl-1-indenone
  • 2-(4-isothiocyanatophenyl)-3-phenylinden-1-one
  • 2-4-isothiocyanophenyl-3-phenylindone
CAS Number(s)
  • 17539-24-1
InChIKey AFOSBIWLAPSWME-UHFFFAOYSA-N
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