Hypotaurine
C2H7NO2S
300-84-5 Copyright (C) 2024 ACS
  6  5  0  0  0  0  0  0  0  0999 V2000
    2.6674    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5400    0.0000 S   0  0  0  0  0  4  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <cas.rn>
300-84-5

> <cas.index.name>
Ethanesulfinic acid, 2-amino-

> <molecular.formula>
C2H7NO2S

> <molecular.weight>
109.15

> <melting.point.experimental>
175-177 °C

> <boiling.point.predicted>
354.923±44.00 °C    Press: 760.00 Torr

> <density.predicted>
1.511±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.211±0.10    Most Acidic Temp: 25 °C

$$$$
