Methyl (3S)-3-(Hydroxymethyl)-1,3,4,9-Tetrahydro-2H-β-Carboline-2-Carbodithioate

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Formula C14H16N2OS2
IUPAC Name methyl (3s)-3-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate
Molecular Mass 292.420 g·mol−1
Heat of Formation 87.2 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 337.1 Å 3
Surface Area 295.77 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[5,4-b]indole-2-carbodithioic acid methyl ester
  • (3s)-3-methylol-1,3,4,9-tetrahydro-$b-carboline-2-carbodithioic acid methyl ester
  • 2h-pyrido(3,4-b)indole-2-carbodithioic acid, 1,3,4,9-tetrahydro-3-(hydroxymethyl)-, methyl ester, (s)-
  • methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate
  • thmcc
CAS Number(s)
  • 96086-52-1
InChIKey IFUFGCHZTXPRII-VIFPVBQESA-N
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