1-(2,5-Dihydroxyphenyl)ethanone 2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyr...
C18H18N4O2S
301655-16-3 Copyright (C) 2024 ACS
 25 28  0  0  0  0  0  0  0  0999 V2000
    5.9932    4.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5332    4.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3032    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5332    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    8.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9233    2.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    3.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9131    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2232    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    3.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136    5.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4068    1.6540    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9932    1.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5678    6.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2232    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609    5.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6133    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6133    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1533    6.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1533    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9233    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  3  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
301655-16-3

> <cas.index.name>
Ethanone, 1-(2,5-dihydroxyphenyl)-, 2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone

> <molecular.formula>
C18H18N4O2S

> <molecular.weight>
354.43

> <melting.point.experimental>
>300 °C

> <boiling.point.predicted>
619.260±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.506±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.928±0.20    Most Acidic Temp: 25 °C

$$$$
