1H-Indole-3-ethanamine, N,N′-(dithiodi-2,1-ethanediyl)bis-
C24H30N4S2
421581-52-4 Copyright (C) 2024 ACS
 30 33  0  0  0  0  0  0  0  0999 V2000
    5.7534    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208    2.6218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7544    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0882    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4219    1.8517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7556    2.6218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0893    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4231    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7567    1.8517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0904    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4241    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128    2.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4196    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7523    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    4.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7579    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1647    1.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9188    4.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1952    3.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6406    0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4251    4.4735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7016    2.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1471    0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1775    1.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
> <cas.rn>
421581-52-4

> <cas.index.name>
1H-Indole-3-ethanamine, N,N′-(dithiodi-2,1-ethanediyl)bis-

> <molecular.formula>
C24H30N4S2

> <molecular.weight>
438.65

> <boiling.point.predicted>
689.819±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.245±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
16.930±0.30    Most Acidic Temp: 25 °C

$$$$
