Thiethylperazine
C22H29N3S2
1420-55-9 Copyright (C) 2025 ACS
 27 30  0  0  0  0  0  0  0  0999 V2000
    7.7000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.6685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3336    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <cas.rn>
1420-55-9

> <cas.index.name>
10H-Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-

> <molecular.formula>
C22H29N3S2

> <molecular.weight>
399.62

> <melting.point.experimental>
62-64 °C

> <boiling.point.experimental>
227 °C    Press: 0.01 Torr

> <density.predicted>
1.243±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.experimental>
8.12

$$$$
