1-(2-(Ethylthio)Ethyl)-2-Methyl-5-Nitro-1H-Imidazole

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Properties Simple | Detailed

Formula C8H13N3O2S
IUPAC Name 1-(2-ethylsulfanylethyl)-2-methyl-5-nitro-imidazole
Molecular Mass 215.273 g·mol−1
Heat of Formation 58.9 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 254.44 Å 3
Surface Area 237.72 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-ethylsulfanylethyl)-2-methyl-5-nitro-imidazole
  • 1-(2-ethylsulfanylethyl)-2-methyl-5-nitroimidazole
  • 1-[2-(ethylthio)ethyl]-2-methyl-5-nitro-imidazole
  • 1-[2-(ethylthio)ethyl]-2-methyl-5-nitroimidazole
CAS Number(s)
  • 28795-33-7
InChIKey MFRJPLQSIRTHSZ-UHFFFAOYSA-N
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