2-[[6-Amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]thio]ace...
C19H17N5O2S
910487-58-0 Copyright (C) 2024 ACS
 27 29  0  0  0  0  0  0  0  0999 V2000
    6.6685    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5443    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7743    8.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 14  1  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 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <cas.rn>
910487-58-0

> <cas.index.name>
Acetamide, 2-[[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]thio]-

> <molecular.formula>
C19H17N5O2S

> <molecular.weight>
379.44

> <melting.point.experimental>
219-220 °C    Solvent: Methanol

> <boiling.point.predicted>
684.771±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.433±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.985±0.40    Most Acidic Temp: 25 °C

$$$$
