(7-Methoxy-1H-Indol-3-Yl)[Bis(Methylsulfanyl)]Acetonitrile

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Properties Simple | Detailed

Formula C13H14N2OS2
IUPAC Name 2-(7-methoxyindol-1-ium-3-yl)-2,2-bis(methylsulfanyl)acetonitrile
Molecular Mass 278.393 g·mol−1
Heat of Formation 119.2 ± 16.7 kJ·mol−1
Dipole Moment 7.52 ± 1.08 D
Volume 326.15 Å 3
Surface Area 279.38 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-3-acetonitrile, 7-methoxy-alpha,alpha-bis(methylthio)-
  • 2-(7-methoxy-1h-indol-3-yl)-2,2-bis(methylsulfanyl)acetonitrile
  • 2-(7-methoxy-1h-indol-3-yl)-2,2-bis(methylsulfanyl)ethanenitrile
  • 2-(7-methoxy-1h-indol-3-yl)-2,2-bis(methylthio)acetonitrile
  • 7-methoxy-alpha,alpha-bis(methylthio)-1h-indole-3-acetonitrile
  • dithyreanitrile
CAS Number(s)
  • 128717-80-6
InChIKey AUNKBAZALTWNQR-UHFFFAOYSA-N
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