2-Hydroxy-1-naphthalenecarboxaldehyde S-(4-methylphenyl)thiooxime
C18H15NOS
906439-72-3 Copyright (C) 2024 ACS
 21 23  0  0  0  0  0  0  0  0999 V2000
    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
    7.7000    5.3347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3338    0.0000 O   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
    3.0800    2.6674    0.0000 C   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
    2.3100    1.3338    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
    5.3900    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    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
   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.0011    0.0000 C   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
  1  2  2  3  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <cas.rn>
906439-72-3

> <cas.index.name>
1-Naphthalenecarboxaldehyde, 2-hydroxy-, S-(4-methylphenyl)thiooxime

> <molecular.formula>
C18H15NOS

> <molecular.weight>
293.38

> <boiling.point.predicted>
495.504±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.162±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.072±0.50    Most Acidic Temp: 25 °C

$$$$
