1-(2,4,6-Triisopropylbenzenesulfonyl)-5-(Pyridin-2-Yl)Tetrazolide

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Formula C21H27N5O2S
IUPAC Name 2-[1-(2,4,6-triisopropylphenyl)sulfonyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl]pyridine
Molecular Mass 413.536 g·mol−1
Heat of Formation 15.7 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 502.81 Å 3
Surface Area 392.77 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-tetrazole, 5-(2-pyridinyl)-1-((2,4,6-tris(1-methylethyl)phenyl)sulfonyl)-
  • 2-[1-(2,4,6-triisopropylphenyl)sulfonyl-5-tetrazolyl]pyridine
  • 2-[1-(2,4,6-triisopropylphenyl)sulfonyltetrazol-5-yl]pyridine
  • 2-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,3,4-tetrazol-5-yl]pyridine
  • 2-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltetrazol-5-yl]pyridine
  • tpspy
CAS Number(s)
  • 81186-95-0
InChIKey SAMACTIGDXRVRF-UHFFFAOYSA-N
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