S-Methyl [2-(1H-Indol-3-Yl)Ethyl]Methylcarbamothioate

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Properties Simple | Detailed

Formula C13H16N2OS
IUPAC Name s-methyl n-(2-indol-1-ium-3-ylethyl)-n-methyl-carbamothioate
Molecular Mass 248.344 g·mol−1
Heat of Formation -42.5 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 302.2 Å 3
Surface Area 245.78 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • [2-(1h-indol-3-yl)ethyl-methyl-amino]methanethioic acid s-methyl ester
  • [2-(1h-indol-3-yl)ethyl-methylamino]methanethioic acid s-methyl ester
  • s-methyl [2-(1h-indol-3-yl)ethyl-methyl-amino]methanethioate
  • s-methyl [2-(1h-indol-3-yl)ethyl-methylamino]methanethioate
  • s-methyl n,n-2-[(1h)-indol-3-ethyl]methyl thiocarbamate
InChIKey ASGGNXXOFLVYSB-UHFFFAOYSA-N
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