1-[2-(Ethylsulfonyl)Ethyl]-2-Methyl-4-Nitro-1H-Imidazol-5-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C8H13N3O5S
IUPAC Name 3-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazol-3-ium-2-ylium-4-ol
Molecular Mass 263.271 g·mol−1
Heat of Formation -449.2 ± 16.7 kJ·mol−1
Dipole Moment 12.92 ± 1.08 D
Volume 282.51 Å 3
Surface Area 260.26 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazol-5-ol, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-4-nitro-
  • 3-(2-ethylsulfonylethyl)-2-methyl-5-nitro-4-imidazolol
  • 3-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazol-4-ol
  • 3-(2-ethylsulfonylethyl)-2-methyl-5-nitroimidazol-4-ol
  • ethyl 2-(5-hydroxy-2-methyl-4-nitro-1-imidazolyl)ethylsulfone
  • hmnies
CAS Number(s)
  • 96740-74-8
InChIKey ZJWKRPPNTALLIT-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N