1,3-Dimethyl-2-[(2-Oxopropyl)Sulfanyl]-1H-Imidazol-3-Ium

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Properties Simple | Detailed

Formula C8H13N2OS+
IUPAC Name 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one
Molecular Mass 185.267 g·mol−1
Heat of Formation 1462.5 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 228.25 Å 3
Surface Area 221.28 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1,3-dimethyl-2-imidazol-1-iumyl)thio]propan-2-one
  • 1-[(1,3-dimethylimidazol-1-ium-2-yl)thio]acetone
InChIKey VQLITXBUXQZTRP-UHFFFAOYSA-N
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