Thiazolidinedione
C3H3NO2S
2295-31-0 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  7 7 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 0.0000 2.6218 0.0 0
M  V30 2 O 5.3026 1.4946 0.0 0
M  V30 3 N 2.7406 2.4782 0.0 0
M  V30 4 C 1.3337 1.8517 0.0 0
M  V30 5 C 3.7711 1.3337 0.0 0
M  V30 6 C 1.4946 0.3202 0.0 0
M  V30 7 S 3.0011 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 4
M  V30 2 2 2 5
M  V30 3 1 3 4
M  V30 4 1 3 5
M  V30 5 1 4 6
M  V30 6 1 5 7
M  V30 7 1 6 7
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2295-31-0

> <cas.index.name>
2,4-Thiazolidinedione

> <molecular.formula>
C3H3NO2S

> <molecular.weight>
117.13

> <melting.point.experimental>
128 °C

> <boiling.point.predicted>
305.7±11.0 °C    Press: 760 Torr

> <density.predicted>
1.516±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
6.50±0.10    Most Acidic Temp: 25 °C

$$$$
