3,4,4-Trimethyl-1-[(4-Methylphenyl)Sulfonyl]-4,5-Dihydro-1H-Imidazol-3-Ium

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Properties Simple | Detailed

Formula C13H19N2O2S+
IUPAC Name 3,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-5h-imidazol-3-ium
Molecular Mass 267.367 g·mol−1
Heat of Formation 2508.9 ± 16.7 kJ·mol−1
Dipole Moment 0.27 ± 1.08 D
Volume 329.27 Å 3
Surface Area 303.92 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-tosyl)-3,4,4-trimethylimidazolidine
  • 1-tti
  • 1h-imidazolium, 4,5-dihydro-3,4,4-trimethyl-1-((4-methylphenyl)sulfonyl)-
  • 3,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-5h-imidazol-3-ium
CAS Number(s)
  • 140703-19-1
InChIKey PSMDXWOUDYBQGK-UHFFFAOYSA-N
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