3H-Imidazo(4,5-C)Pyridine, 4-((Benzo(B)Thien-3-Ylmethyl)Thio)-3-Methyl-

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Properties Simple | Detailed

Formula C16H13N3S2
IUPAC Name 4-(benzothiophen-3-ylmethylsulfanyl)-3-methyl-imidazo[4,5-c]pyridine
Molecular Mass 311.425 g·mol−1
Heat of Formation 401.6 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 354.73 Å 3
Surface Area 279.3 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (4-(1-benzothiophen-3-yl-methylthio)-3-methyl-3h-imidazo(4,5-c)pyridine)
  • 4-(1-benzothiophen-3-ylmethylsulfanyl)-3-methyl-imidazo[5,4-c]pyridine
  • 4-(3-benzothiophenylmethylthio)-3-methylimidazo[5,4-c]pyridine
  • 4-(benzothiophen-3-ylmethylsulfanyl)-3-methyl-imidazo[5,4-c]pyridine
  • 4-(benzothiophen-3-ylmethylthio)-3-methyl-imidazo[5,4-c]pyridine
  • emd 41717
  • emd-41717
CAS Number(s)
  • 86073-87-2
InChIKey XLZNELHFDFPOST-UHFFFAOYSA-N
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