5-(1-Methyl-5-Nitro-1H-Imidazol-2-Yl)-1,3,4-Thiadiazol-2-Amine

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Properties Simple | Detailed

Formula C6H6N6O2S
IUPAC Name 5-(1-methyl-5-nitro-imidazol-1-ium-2-ylium-2-yl)-1,3,4-thiadiazol-2-amine
Molecular Mass 226.216 g·mol−1
Heat of Formation 370.8 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 230.98 Å 3
Surface Area 222.03 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,4-thiadiazol-2-amine, 5-(1-methyl-5-nitro-1h-imidazol-2-yl)-
  • 1,3,4-thiadiazol-2-amine, 5-(1-methyl-5-nitro-1h-imidazol-2-yl)- (9ci)
  • 1,3,4-thiadiazole, 2-amino-5-(1-methyl-5-nitroimidazol-2-yl)-
  • 1,3,4-thiadiazole,2-amino-5-(1-methyl-5-nitro-2-imidazolyl)
  • 2-amino-5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole
  • 2-amino-5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole
  • 5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-amine
  • 5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-amine
  • 5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-amine
  • [5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]amine
  • cl 64855
  • nitroimidazole thiadiazole
CAS Number(s)
  • 19622-55-0
InChIKey VDZZTXBMKRQEPO-UHFFFAOYSA-N
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