Fexinidazole

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Properties Simple | Detailed

Formula C12H13N3O3S
IUPAC Name 1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitro-imidazol-1-ium-2-ylium
Molecular Mass 279.315 g·mol−1
Heat of Formation 96.2 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 318.19 Å 3
Surface Area 297.35 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-2-((p-(methylthio)phenoxy)methyl)-5-nitroimidazole
  • 1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitro-imidazole
  • 1-methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-imidazole
  • 1-methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitroimidazole
CAS Number(s)
  • 59729-37-2
InChIKey MIWWSGDADVMLTG-UHFFFAOYSA-N
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