(αR)-α-[[3,5-Dicyano-6-(dimethylamino)-4-ethyl-2-pyridinyl]thio]benzeneacetamide
C19H19N5OS
2170136-65-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  26 27 0 0 1
M  V30 BEGIN ATOM
M  V30 1 S 7.7000 4.0011 0.0 0
M  V30 2 C 8.4700 5.3347 0.0 0 CFG=2
M  V30 3 C 7.7000 6.6685 0.0 0
M  V30 4 N 8.4700 8.0021 0.0 0
M  V30 5 O 6.1600 6.6685 0.0 0
M  V30 6 C 6.1600 1.3336 0.0 0
M  V30 7 N 6.9300 0.0000 0.0 0
M  V30 8 C 3.0800 1.3336 0.0 0
M  V30 9 C 1.5400 1.3336 0.0 0
M  V30 10 N 3.0800 6.6685 0.0 0
M  V30 11 C 1.5400 6.6685 0.0 0
M  V30 12 C 3.8500 8.0021 0.0 0
M  V30 13 C 1.5400 4.0011 0.0 0
M  V30 14 N 0.0000 4.0011 0.0 0
M  V30 15 C 6.1600 4.0011 0.0 0
M  V30 16 C 5.3900 2.6674 0.0 0
M  V30 17 N 5.3900 5.3347 0.0 0
M  V30 18 C 3.8500 2.6674 0.0 0
M  V30 19 C 3.8500 5.3347 0.0 0
M  V30 20 C 3.0800 4.0011 0.0 0
M  V30 21 C 10.0100 5.3347 0.0 0
M  V30 22 C 10.7800 6.6684 0.0 0
M  V30 23 C 10.7800 4.0011 0.0 0
M  V30 24 C 12.3200 6.6685 0.0 0
M  V30 25 C 12.3200 4.0011 0.0 0
M  V30 26 C 13.0900 5.3347 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1 CFG=1
M  V30 2 1 1 15
M  V30 3 1 2 3
M  V30 4 1 2 21
M  V30 5 1 3 4
M  V30 6 2 3 5
M  V30 7 3 6 7
M  V30 8 1 6 16
M  V30 9 1 8 9
M  V30 10 1 8 18
M  V30 11 1 10 11
M  V30 12 1 10 12
M  V30 13 1 10 19
M  V30 14 3 13 14
M  V30 15 1 13 20
M  V30 16 2 15 16
M  V30 17 1 15 17
M  V30 18 1 16 18
M  V30 19 2 17 19
M  V30 20 2 18 20
M  V30 21 1 19 20
M  V30 22 2 21 22
M  V30 23 1 21 23
M  V30 24 1 22 24
M  V30 25 2 23 25
M  V30 26 2 24 26
M  V30 27 1 25 26
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2170136-65-7

> <cas.index.name>
Benzeneacetamide, α-[[3,5-dicyano-6-(dimethylamino)-4-ethyl-2-pyridinyl]thio]-, (αR)-

> <molecular.formula>
C19H19N5OS

> <molecular.weight>
365.45

> <boiling.point.predicted>
620.5±55.0 °C    Press: 760 Torr

> <density.predicted>
1.30±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
14.62±0.50    Most Acidic Temp: 25 °C

$$$$
