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

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Properties Simple | Detailed

Formula C5H7N3O4S
IUPAC Name 1-methyl-2-methylsulfonyl-5-nitro-imidazol-1-ium-2-ylium
Molecular Mass 205.192 g·mol−1
Heat of Formation -214.8 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 206.18 Å 3
Surface Area 199.22 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-2-methylsulfonyl-5-nitro-imidazole
  • 1-methyl-2-methylsulfonyl-5-nitroimidazole
  • 1h-imidazole, 1-methyl-2-(methylsulfonyl)-5-nitro-
  • 2-mesyl-1-methyl-5-nitro-imidazole
  • sulfonidazole
CAS Number(s)
  • 1615-53-8
InChIKey RSOPCRYPVDDVAX-UHFFFAOYSA-N
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