5-[(1-Methyl-4-Nitro-1H-Imidazol-5-Yl)Sulfanyl]-1H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C6H6N6O2S
IUPAC Name 3-(3-methyl-5-nitro-imidazole-4,5-diylium-4-yl)sulfanyl-4-aza-2-azonia-1-azanidacyclopenta-2,4-diene
Molecular Mass 226.216 g·mol−1
Heat of Formation 368.1 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 233.89 Å 3
Surface Area 218.82 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole, 3-((1-methyl-4-nitro-1h-imidazol-5-yl)thio)-
  • 1h-1,2,4-triazole, 3-((1-methyl-4-nitro-1h-imidazole-5-yl)thio)-
  • 1h-1,2,4-triazole, 3-((1-methyl-4-nitro-5-imidazolyl)thio)-
  • 1h-1,2,4-triazole, 3-[(1-methyl-4-nitro-1h-imidazol-5-yl)thio]-
  • 1h-1,2,4-triazole, 3-[(1-methyl-4-nitro-1h-imidazole-5-yl)thio]-
  • 3-((1-methyl-4-nitro-5-imidazolyl)thio)-1h-1,2,4-triazole
  • 3-((4-(hydroxy(oxido)amino)-1-methyl-1h-imidazol-5-yl)thio)-4h-1,2,4-triazole
  • 3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-2h-1,2,4-triazole
  • 3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-2h-1,2,4-triazole
  • 3-[(3-methyl-5-nitro-4-imidazolyl)thio]-2h-1,2,4-triazole
  • 3-[(3-methyl-5-nitro-imidazol-4-yl)thio]-2h-1,2,4-triazole
  • jjc 323
  • n-[1-methyl-5-(2h-1,2,4-triazol-3-ylsulfanyl)imidazol-4-yl]-n-oxido-hydroxylamine
  • n-[1-methyl-5-(2h-1,2,4-triazol-3-ylsulfanyl)imidazol-4-yl]-n-oxidohydroxylamine
  • n-[1-methyl-5-(2h-1,2,4-triazol-3-ylthio)-4-imidazolyl]-n-oxidohydroxylamine
  • n-[1-methyl-5-(2h-1,2,4-triazol-3-ylthio)imidazol-4-yl]-n-oxido-hydroxylamine
  • n-hydroxy-1-methyl-5-(2h-1,2,4-triazol-3-ylsulfanyl)imidazol-4-amine oxide
  • n-hydroxy-1-methyl-5-(2h-1,2,4-triazol-3-ylthio)-4-imidazolamine oxide
  • n-hydroxy-1-methyl-5-(2h-1,2,4-triazol-3-ylthio)imidazol-4-amine oxide
  • oprea1_345305
CAS Number(s)
  • 91300-62-8
InChIKey YUPUITJUYVPDSP-UHFFFAOYSA-N
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