6-Nitro-1H-Benzoimidazole-2-Thiol

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Properties Simple | Detailed

Formula C7H5N3O2S
IUPAC Name 5-nitrobenzimidazole-1,3-diium-2-thione
Molecular Mass 195.198 g·mol−1
Heat of Formation 193.3 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 203.48 Å 3
Surface Area 200.82 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.13 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-benzimidazolethiol, 5-nitro-
  • 2-benzimidazolinethione, 5-nitro-
  • 2-mercapto-5-nitrobenzimidazole
  • 2h-benzimidazole-2-thione, 1,3-dihydro-5-nitro-
  • 5-nitro-1,3-dihydrobenzimidazole-2-thione
  • 5-nitro-2-benzimidazolethiol
  • 5-nitro-2-mercaptobenzimidazole
  • oprea1_044883
  • oprea1_137907
  • oprea1_746313
CAS Number(s)
  • 110608-77-0
  • 2360-38-5
  • 6325-91-3
InChIKey YPXQSGWOGQPLQO-UHFFFAOYSA-N
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