Hexythiazox
C17H21ClN2O2S
78587-05-0 Copyright (C) 2023 ACS
 23 25  0  0  0  0  0  0  0  0999 V2000
    8.3955    4.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.5620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6850    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2322    2.6878    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    2.0439    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0753    3.1885    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3359    0.7103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.5620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8294    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375    2.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2638    3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5427    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7954    3.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0743    1.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7006    2.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  3 18  1  0  0  0  0
  5 11  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
78587-05-0

> <cas.index.name>
3-Thiazolidinecarboxamide, 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-, (4R,5R)-rel-

> <molecular.formula>
C17H21ClN2O2S

> <molecular.weight>
352.88

> <melting.point.experimental>
108 °C

> <density.predicted>
1.31±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.77±0.20    Most Acidic Temp: 25 °C

$$$$
