1-Methyl-4-Nitro-1H-Imidazole-5-Sulfonamide

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Properties Simple | Detailed

Formula C4H6N4O4S
IUPAC Name 3-methyl-5-nitro-imidazol-3-ium-4-ylium-4-sulfonamide
Molecular Mass 206.180 g·mol−1
Heat of Formation -176.7 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 198.87 Å 3
Surface Area 190.81 Å 2
HOMO Energy -10.69 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-5-sulfonamide-4-nitroimidazole
  • 1h-imidazole-5-sulfonamide (9ci), 1-methyl-4-nitro-
  • 3-methyl-5-nitro-4-imidazolesulfonamide
  • 3-methyl-5-nitro-imidazole-4-sulfonamide
  • 3-methyl-5-nitroimidazole-4-sulfonamide
  • 5-imidazolesulfonamide, 1-methyl-4-nitro-
  • imidazole-5-sulfonamide (8ci), 1-methyl-4-nitro-
  • mjl 1
CAS Number(s)
  • 6339-55-5
InChIKey MWZUIMSIQYBGBM-UHFFFAOYSA-N
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