1-Methyl-2-(Methylsulfanyl)-5-Nitro-1H-Imidazole

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Properties Simple | Detailed

Formula C5H7N3O2S
IUPAC Name 1-methyl-2-methylsulfanyl-5-nitro-imidazol-1-ium-5-ylium
Molecular Mass 173.193 g·mol−1
Heat of Formation 124.7 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 189.48 Å 3
Surface Area 186.79 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-2-(methylthio)-5-nitro-imidazole
  • 1-methyl-2-(methylthio)-5-nitroimidazole
  • 1-methyl-2-methylsulfanyl-5-nitro-imidazole
  • 1-methyl-2-methylsulfanyl-5-nitroimidazole
  • 1h-imidazole, 1-methyl-2-(methylthio)-5-nitro-
  • sulfuridazole
CAS Number(s)
  • 1615-41-4
InChIKey ZQLIPHIEXOWXGX-UHFFFAOYSA-N
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