Sulindac sulfide
C20H17FO2S
49627-27-2 Copyright (C) 2024 ACS
 24 26  0  0  0  0  0  0  0  0999 V2000
    7.4607    6.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580    5.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    6.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    8.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999    8.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5383    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7955    3.6155    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292    4.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9659    4.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596    4.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    5.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9965    3.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6896    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7200    6.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5205    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944    5.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7944    4.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1280    6.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1280    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    5.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    4.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6 16  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  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 17  1  0  0  0  0
 14 16  2  0  0  0  0
 15 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <cas.rn>
49627-27-2

> <cas.index.name>
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-, (1Z)-

> <molecular.formula>
C20H17FO2S

> <molecular.weight>
340.41

> <melting.point.experimental>
186-190 °C

> <boiling.point.predicted>
526.346±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.307±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.265±0.10    Most Acidic Temp: 25 °C

$$$$
