Butanoic acid, 4,4′-thiobis-, bis[[(2-hydroxyphenyl)methylene]hydrazide]
C22H26N4O4S
6325-13-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  31 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 21.3393 3.8501 0.0 0
M  V30 2 N 20.0055 4.6201 0.0 0
M  V30 3 N 18.6718 3.8501 0.0 0
M  V30 4 C 17.3382 4.6201 0.0 0
M  V30 5 C 16.0045 3.8501 0.0 0
M  V30 6 O 17.3382 6.1601 0.0 0
M  V30 7 C 14.6707 4.6201 0.0 0
M  V30 8 C 13.3370 3.8501 0.0 0
M  V30 9 S 12.0033 4.6201 0.0 0
M  V30 10 C 10.6697 3.8501 0.0 0
M  V30 11 C 9.3358 4.6201 0.0 0
M  V30 12 C 8.0022 3.8501 0.0 0
M  V30 13 C 6.6685 4.6201 0.0 0
M  V30 14 N 5.3348 3.8501 0.0 0
M  V30 15 O 6.6685 6.1601 0.0 0
M  V30 16 N 5.3348 2.3101 0.0 0
M  V30 17 C 4.0010 1.5400 0.0 0
M  V30 18 O 24.0067 2.3101 0.0 0
M  V30 19 O 1.3337 0.0000 0.0 0
M  V30 20 C 22.6730 4.6201 0.0 0
M  V30 21 C 24.0067 3.8501 0.0 0
M  V30 22 C 22.6730 6.1601 0.0 0
M  V30 23 C 25.3403 4.6201 0.0 0
M  V30 24 C 24.0067 6.9302 0.0 0
M  V30 25 C 25.3403 6.1601 0.0 0
M  V30 26 C 2.6673 2.3101 0.0 0
M  V30 27 C 1.3337 1.5400 0.0 0
M  V30 28 C 2.6673 3.8501 0.0 0
M  V30 29 C 0.0000 2.3101 0.0 0
M  V30 30 C 1.3337 4.6201 0.0 0
M  V30 31 C 0.0000 3.8501 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2 CFG=2
M  V30 2 1 1 20
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 2 4 6
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 2 13 15
M  V30 16 1 14 16
M  V30 17 2 16 17 CFG=2
M  V30 18 1 17 26
M  V30 19 1 18 21
M  V30 20 1 19 27
M  V30 21 2 20 21
M  V30 22 1 20 22
M  V30 23 1 21 23
M  V30 24 2 22 24
M  V30 25 2 23 25
M  V30 26 1 24 25
M  V30 27 2 26 27
M  V30 28 1 26 28
M  V30 29 1 27 29
M  V30 30 2 28 30
M  V30 31 2 29 31
M  V30 32 1 30 31
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
6325-13-9

> <cas.index.name>
Butanoic acid, 4,4′-thiobis-, bis[[(2-hydroxyphenyl)methylene]hydrazide]

> <molecular.formula>
C22H26N4O4S

> <molecular.weight>
442.53

> <density.predicted>
1.25±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.29±0.35    Most Acidic Temp: 25 °C

$$$$
