Taurine

Compound Structure

CAS Number: 107-35-7

Molecular Mass: 125.15 g/mol

Formula: C2H7NO3S

Smiles: NCCS(=O)(=O)O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Water 278.05 - 55.74 [466]
Water 278.15 - 46.65 [464]
Water 281.25 - 65.34 [466]
Water 283.15 - 56.64 [464]
Water 288.15 - 71.1 [464]
Water 288.75 - 83.65 [466]
Water 289.85 - 90.04 [466]
Water 293.15 - 85.15 [464]
Water 298.15 - 99.34 [464]
Water 298.15 - 100.2 [465]
Water 298.15 - 120.1 [466]
Water 303.15 - 121.2 [464]
Water 303.15 - 118.1 [465]
Water 305.35 - 143.2 [466]
Water 308.15 - 142.2 [464]
Water 308.15 - 139.9 [465]
Water 308.25 - 150.0 [466]
Water 310.95 - 164.7 [466]
Water 313.15 - 163.4 [464]
Water 313.15 - 163.2 [465]
Water 314.85 - 185.0 [466]
Water 318.15 - 186.4 [464]
Water 318.15 - 190.5 [465]
Water 318.35 - 206.2 [466]
Water 321.55 - 228.1 [466]
Water 323.15 - 225.7 [464]
Water 331.75 - 286.9 [466]
Water 340.95 - 340.4 [466]
Water 345.15 - 376.8 [466]
Water 350.25 - 420.6 [466]
Water 353.55 - 466.0 [466]

Molecule 3D descriptors

Descriptor Value
PMI1 114.3621
PMI2 387.4166
PMI3 389.9061
NPR1 0.2933
NPR2 0.9936
RadiusOfGyration 1.8875
InertialShapeFactor 0.0087
Eccentricity 0.9560
Asphericity 0.3785
SpherocityIndex 0.3675
PBF 0.5252