(1Z)-1-(3-Ethyl-5-methoxy-2(3H)-benzothiazolylidene)-2-propanone
C13H15NO2S
719277-26-6 Copyright (C) 2025 ACS
 17 18  0  0  0  0  0  0  0  0999 V2000
    4.2794    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3098    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2209    2.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5547    3.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2199    3.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7552    2.6091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2199    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5536    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    3.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7552    5.1008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5536    5.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872    3.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <cas.rn>
719277-26-6

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

> <molecular.formula>
C13H15NO2S

> <molecular.weight>
249.33

> <boiling.point.predicted>
386.004±42.00 °C    Press: 760.00 Torr

> <density.predicted>
1.238±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
-1.538±0.20    Most Basic Temp: 25 °C

$$$$
