5-Phenyl-1,3,4-Oxadiazole-2(3H)-Thione

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Properties Simple | Detailed

Formula C8H6N2OS
IUPAC Name 5-phenyl-3h-1,3,4-oxadiazole-2-thione
Molecular Mass 178.211 g·mol−1
Heat of Formation 186.2 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 195.71 Å 3
Surface Area 198.23 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,4-oxadiazole-2(3h)-thione, 5-phenyl-
  • 1,3,4-oxadiazole-5-thiol, 2-phenyl-
  • 2-phenyl-1,3,4-oxadiazole-5-thiol
  • 5-phenyl-1,3,4-oxadiazole-2-thiol
  • 5-phenyl-[1,3,4]oxadiazole-2-thiol
  • sr-01000638256-1
CAS Number(s)
  • 23288-98-4
  • 3004-42-0
InChIKey FOHWXVBZGSVUGO-UHFFFAOYSA-N
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