N,N-Dimethyl-2-[4-(Methylsulfanyl)-1H-Indol-3-Yl]Ethanamine

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Properties Simple | Detailed

Formula C13H18N2S
IUPAC Name n,n-dimethyl-2-(4-methylsulfanylindol-1-ium-3-yl)ethanamine
Molecular Mass 234.360 g·mol−1
Heat of Formation 142.8 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 302.11 Å 3
Surface Area 264.07 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-3-ethanamine, n,n-dimethyl-4-(methylthio)-
  • 4-methylthio-dimethyltryptamine
  • 4-methylthiodimethyltryptamine
  • dimethyl-[2-[4-(methylthio)-1h-indol-3-yl]ethyl]amine
  • n,n-dimethyl-2-[4-(methylthio)-1h-indol-3-yl]ethanamine
CAS Number(s)
  • 10455-77-3
InChIKey YWCOPJQNWPEWQP-UHFFFAOYSA-N
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