Sulfathiazole

Compound Structure

CAS Number: 72-14-0

Molecular Mass: 255.3 g/mol

Formula: C9H9N3O2S2

Smiles: Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 298.15 - 0.1529 [50]
1-Octanol 303.15 - 0.2081 [50]
1-Octanol 308.15 - 0.2675 [50]
1-Octanol 313.15 - 0.327 [50]
Water 298.15 - 0.4594 [50]
Water 303.15 - 0.6114 [50]
Water 308.15 - 0.8338 [50]
Water 313.15 - 1.033 [50]

Molecule 3D descriptors

Descriptor Value
PMI1 438.4556
PMI2 2251.3922
PMI3 2478.1188
NPR1 0.1769
NPR2 0.9085
RadiusOfGyration 3.1813
InertialShapeFactor 0.0021
Eccentricity 0.9842
Asphericity 0.5615
SpherocityIndex 0.0809
PBF 0.4611