4-[2-(2-Cyclopentylidenehydrazinyl)-4-thiazolyl]benzonitrile
C15H14N4S
949912-58-7 Copyright (C) 2024 ACS
 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0226    2.2946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6156    2.9211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7982    3.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3383    3.9698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6382    3.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7330    2.7240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7330    5.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    3.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    4.7398    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1782    3.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9482    2.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9482    5.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4882    2.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4882    5.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2582    3.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698    2.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  3  0  0  0  0
  3 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <cas.rn>
949912-58-7

> <cas.index.name>
Benzonitrile, 4-[2-(2-cyclopentylidenehydrazinyl)-4-thiazolyl]-

> <molecular.formula>
C15H14N4S

> <molecular.weight>
282.37

> <boiling.point.predicted>
498.895±47.00 °C    Press: 760.00 Torr

> <density.predicted>
1.320±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.401±0.20    Most Acidic Temp: 25 °C

$$$$
