5,6-Diphenyl-1,2,4-Triazine-3(2H)-Thione

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Properties Simple | Detailed

Formula C15H11N3S
IUPAC Name 5,6-diphenyl-1-aza-2-azonia-4-azanidacyclohexa-1,5-diene-3-thione
Molecular Mass 265.333 g·mol−1
Heat of Formation 522.6 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 312.03 Å 3
Surface Area 275.78 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2, 4-triazine-3(4h)-thione, 5,6-diphenyl-
  • 1,2,4-triazine-3(2h)-thione, 5,6-diphenyl-
  • 1,2,4-triazine-3(2h)-thione, 5,6-diphenyl- (9ci)
  • 1,2,4-triazine-3(4h)-thione, 5,6-diphenyl-
  • 5,6-diphenyl-1,2,4-triazine-3-thiol
  • 5,6-diphenyl-2h-[1,2,4]triazine-3-thione
  • 5,6-diphenyl-as-triazine-3(2h)-thione
  • as-triazine-3(2h)-thione, 5,6-diphenyl-
  • as-triazine-3-thiol, 5,6-diphenyl-
  • as-triazine-3-thiol, 5,6-diphenyl- (8ci)
  • bas 00478130
  • cbdive_012590
  • chemdiv1_021029
CAS Number(s)
  • 7338-79-6
  • 37469-24-2
InChIKey PESHFZNRQCTMDJ-UHFFFAOYSA-N
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