2-[(4-Pyridinylmethyl)Sulfanyl]-1H-Benzimidazole

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Properties Simple | Detailed

Formula C13H11N3S
IUPAC Name 2-(4-pyridylmethylsulfanyl)-1h-benzimidazole
Molecular Mass 241.312 g·mol−1
Heat of Formation 351.2 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 278.99 Å 3
Surface Area 267.16 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-benzimidazole, 2-[(4-pyridinylmethyl)thio]-
  • 2-((2-(4-pyridyl)methyl)thio)benzimidazole
  • 2-((4-pyridinylmethyl)thio)-1h-benzimidazole
  • 2-(4-pyridylmethylsulfanyl)-1h-benzimidazole
  • 2-(4-pyridylmethylthio)-1h-benzimidazole
  • 2-(pyridin-4-ylmethylsulfanyl)-1h-benzimidazole
  • h 718
  • h-718
CAS Number(s)
  • 23593-14-8
InChIKey GGTXQYUQXAYWLY-UHFFFAOYSA-N
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Elements H S C N