S-Methyl (3-Methyl-1H-Imidazol-3-Ium-1-Yl)Phosphonothioate

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Properties Simple | Detailed

Formula C5H11N2O2PS
IUPAC Name (3-methyl-2h-imidazol-2-id-1-yl)-methylsulfanyl-phosphinate
Molecular Mass 194.192 g·mol−1
Heat of Formation -442.5 ± 16.7 kJ·mol−1
Dipole Moment 10.36 ± 1.08 D
Volume 212.46 Å 3
Surface Area 204.48 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (3-methyl-1-imidazol-3-iumyl)-(methylthio)phosphinate
  • (3-methylimidazol-3-ium-1-yl)-(methylthio)phosphinate
  • (3-methylimidazol-3-ium-1-yl)-methylsulfanyl-phosphinate
  • (3-methylimidazol-3-ium-1-yl)-methylsulfanylphosphinate
  • 1-methyl-s-(3-methylthiophosphoryl)imidazolium
  • 1h-imidazolium, 1-(hydroxy(methylthio)phosphinyl)-3-methyl-, hydroxide, inner salt
  • imidazolium, 1-methyl-3-(s-methyl-thiophosphono)-, inner salt
  • mspi
CAS Number(s)
  • 70951-04-1
InChIKey QSLFDILMORXPKP-UHFFFAOYSA-N
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