1,2,4-Triazine-3-Thiol, 5-Phenyl-

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Properties Simple | Detailed

Formula C9H8N3S+
IUPAC Name 5-phenyl-1-aza-2-azonia-4-azanidacyclohexa-1,5-diene-3-thione
Molecular Mass 190.245 g·mol−1
Heat of Formation 421.4 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 214.48 Å 3
Surface Area 211.21 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 5-phenyl-2h-1,2,4-triazine-3-thione
  • 5-phenyl-as-triazine-3-thiol
  • as-triazine-3-thiol, 5-phenyl-
  • i 319
InChIKey VWXNWTKUEPUSRZ-UHFFFAOYSA-N
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