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

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Properties Simple | Detailed

Formula C4H5N3O2S
IUPAC Name 3-methyl-5-nitro-imidazol-3-ium-4-ylium-4-thiol
Molecular Mass 159.166 g·mol−1
Heat of Formation 160.8 ± 16.7 kJ·mol−1
Dipole Moment 10.02 ± 1.08 D
Volume 167.57 Å 3
Surface Area 168.59 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-4-nitro-5-thioimidazole
  • 1h-imidazole-5-thiol, 1-methyl-4-nitro-
  • 1h-imidazole-5-thiol, 1-methyl-4-nitro- (9ci)
  • 3-methyl-5-nitro-4-imidazolethiol
  • 3-methyl-5-nitro-imidazole-4-thiol
  • 3-methyl-5-nitroimidazole-4-thiol
  • 4-(hydroxy(oxido)amino)-5-mercapto-1-methyl-1h-imidazole
  • 5-mercapto-1-methyl-4-nitroimidazole
  • imidazole-5-thiol, 1-methyl-4-nitro-
  • imidazole-5-thiol, 1-methyl-4-nitro- (8ci)
  • n-(1-methyl-5-sulfanyl-imidazol-4-yl)-n-oxido-hydroxylamine
  • n-(1-methyl-5-sulfanylimidazol-4-yl)-n-oxidohydroxylamine
  • n-(5-mercapto-1-methyl-4-imidazolyl)-n-oxidohydroxylamine
  • n-(5-mercapto-1-methyl-imidazol-4-yl)-n-oxido-hydroxylamine
  • n-hydroxy-1-methyl-5-sulfanyl-imidazol-4-amine oxide
  • n-hydroxy-1-methyl-5-sulfanylimidazol-4-amine oxide
  • n-hydroxy-5-mercapto-1-methyl-4-imidazolamine oxide
  • n-hydroxy-5-mercapto-1-methyl-imidazol-4-amine oxide
CAS Number(s)
  • 6339-54-4
InChIKey DPGGDVPPQMXEOF-UHFFFAOYSA-N
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