N,N-Dimethyl-2-[5-(Methylsulfanyl)-1H-Indol-3-Yl]Ethanamine

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Properties Simple | Detailed

Formula C13H18N2S
IUPAC Name n,n-dimethyl-2-(5-methylsulfanylindol-1-ium-3-yl)ethanamine
Molecular Mass 234.360 g·mol−1
Heat of Formation 139.2 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 302.47 Å 3
Surface Area 279.29 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-3-ethanamine, n,n-dimethyl-5-(methylthio)-
  • 5-methylthiodimethyltryptamine
  • dimethyl-[2-[5-(methylthio)-1h-indol-3-yl]ethyl]amine
  • indole, 3-(2-(dimethylamino)ethyl)-5-methylthio-
  • n,n-dimethyl-2-(5-methylsulfanyl-1h-indol-3-yl)ethanamine
  • n,n-dimethyl-2-[5-(methylthio)-1h-indol-3-yl]ethanamine
  • n,n-dimethyl-5-methylthiotryptamine
CAS Number(s)
  • 5102-11-4
InChIKey YOGJZQGRTVMCPY-UHFFFAOYSA-N
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