4-(2,3-Dihydro-1,2,3,4-Thiatriazol-5-Ylimino)-2,5-Cyclohexadien-1-One

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Formula C7H6N4OS
IUPAC Name 4-(2,3-dihydrothiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one
Molecular Mass 194.214 g·mol−1
Heat of Formation 394.0 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 208.16 Å 3
Surface Area 207.43 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2,3-dihydro-1,2,3,4-thiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one
  • 4-(2,3-dihydrothiatriazol-5-ylimino)-1-cyclohexa-2,5-dienone
  • 5-(p-hydroxyanilino)-1,2,3,4-thiatriazole
  • oprea1_474466
  • p-(1,2,3,4-thiatriazol-5-ylamino)phenol
  • phenol, 4-(1,2,3,4-thiatriazol-5-ylamino)-
CAS Number(s)
  • 23567-67-1
InChIKey AAVJJVBQARSXFC-UHFFFAOYSA-N
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