N-Mesitylenesulfonyl-1,2,4-Triazole

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Formula C11H13N3O2S
IUPAC Name 1-(2,4,6-trimethylphenyl)sulfonyl-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene
Molecular Mass 251.305 g·mol−1
Heat of Formation -132.0 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 280.62 Å 3
Surface Area 253.18 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole
  • 1-(2-mesitylenesulfonyl)-1,2,4-triazole
  • 1-(mesitylen-2-sulfonyl)-1h-1,2,4-triazole
  • mesityl 1,2,4-triazole-1-sulphonate
CAS Number(s)
  • 54230-59-0
InChIKey XNKYPZJMRHXJJQ-UHFFFAOYSA-N
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