Phenol red
C19H14O5S
143-74-8 Copyright (C) 2024 ACS
 25 28  0  0  0  0  0  0  0  0999 V2000
    4.1106    9.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0946    9.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2304    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7466    6.1264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5865    6.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474    7.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    7.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    8.2844    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.7700    7.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7474    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5016    3.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    3.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    2.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3153    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1265    6.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8965    4.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8965    7.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4366    4.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4366    7.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2066    6.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 10  2  0  0  0  0
  3 19  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
143-74-8

> <cas.index.name>
Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-

> <molecular.formula>
C19H14O5S

> <molecular.weight>
354.38

> <melting.point.experimental>
>300 °C

> <boiling.point.predicted>
562.848±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.478±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.892±0.10    Most Acidic Temp: 25 °C

$$$$
