1-[2-(1H-Benzimidazol-2-Ylsulfanyl)Ethyl]-3-Methyl-1,3-Dihydro-2H-Benzimidazole-2-Thione

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Properties Simple | Detailed

Formula C17H16N4S2
IUPAC Name 1-[2-(benzimidazol-1-ium-2-ylium-2-ylsulfanyl)ethyl]-3-methyl-benzimidazole-1,3-diium-2-thione
Molecular Mass 340.466 g·mol−1
Heat of Formation 426.7 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 394.08 Å 3
Surface Area 348.38 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-(1h-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-benzimidazole-2-thione
  • 1-[2-(1h-benzimidazol-2-ylsulfanyl)ethyl]-3-methylbenzimidazole-2-thione
  • 1-[2-(1h-benzimidazol-2-ylthio)ethyl]-3-methyl-2-benzimidazolethione
  • 1-[2-(1h-benzimidazol-2-ylthio)ethyl]-3-methyl-benzimidazole-2-thione
  • oprea1_027553
  • timtec1_003670
InChIKey KDPSGIFCBZTBEZ-UHFFFAOYSA-N
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Elements H C S N