5-Chloro-4-Phenyl-1,2-Dithiole-3-One

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Properties Simple | Detailed

Formula C9H5ClOS2
IUPAC Name 5-chloro-4-phenyl-dithiol-3-one
Molecular Mass 228.718 g·mol−1
Heat of Formation 42.6 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 235.59 Å 3
Surface Area 217.74 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 3h-1, 2-dithiol-3-one, 5-chloro-4-phenyl-
  • 3h-1,2-dithiol-3-one, 5-chloro-4-phenyl-
  • 3h-1,2-dithiol-3-one, 5-chloro-4-phenyl- (7ci, 8ci, 9ci)
  • 5-chloro-4-phenyl-1,2-dithiol-3-one
  • 5-chloro-4-phenyl-3-dithiolone
  • 5-chloro-4-phenyl-3h-1,2-dithiol-3-one
  • 5-chloro-4-phenyldithiol-3-one
  • h 3944
  • hercules 3944
CAS Number(s)
  • 2425-05-0
InChIKey BWTGFYQZOUAOQW-UHFFFAOYSA-N
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Elements H S C O Cl