(1Z)-1-(3-Ethyl-5-hydroxy-2(3H)-benzothiazolylidene)-2-propanone
C12H13NO2S
1169755-45-6 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  16 17 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.5602 0.4759 0.0 0
M  V30 2 C 3.0957 0.0000 0.0 0
M  V30 3 C 7.6210 1.8386 0.0 0
M  V30 4 C 8.9548 2.6086 0.0 0
M  V30 5 C 10.2884 1.8386 0.0 0
M  V30 6 O 8.9548 4.1486 0.0 0
M  V30 7 O 0.0000 4.4605 0.0 0
M  V30 8 C 3.8500 3.1267 0.0 0
M  V30 9 C 4.6200 4.4605 0.0 0
M  V30 10 N 4.8806 1.9823 0.0 0
M  V30 11 C 2.3100 3.1267 0.0 0
M  V30 12 S 6.1264 4.1401 0.0 0
M  V30 13 C 3.8500 5.7941 0.0 0
M  V30 14 C 6.2874 2.6086 0.0 0
M  V30 15 C 1.5400 4.4605 0.0 0
M  V30 16 C 2.3100 5.7941 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 10
M  V30 3 1 3 4
M  V30 4 2 3 14
M  V30 5 1 4 5
M  V30 6 2 4 6
M  V30 7 1 7 15
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 2 8 11
M  V30 11 1 9 12
M  V30 12 2 9 13
M  V30 13 1 10 14
M  V30 14 1 11 15
M  V30 15 1 12 14
M  V30 16 1 13 16
M  V30 17 2 15 16
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1169755-45-6

> <cas.index.name>
2-Propanone, 1-(3-ethyl-5-hydroxy-2(3H)-benzothiazolylidene)-, (1Z)-

> <molecular.formula>
C12H13NO2S

> <molecular.weight>
235.30

> <boiling.point.predicted>
409.2±45.0 °C    Press: 760 Torr

> <density.predicted>
1.337±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.67±0.20    Most Acidic Temp: 25 °C

$$$$
