Sulfadimethoxine

Compound Structure

CAS Number: 122-11-2

Molecular Mass: 310.33 g/mol

Formula: C12H14N4O4S

Smiles: COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 298.15 - 0.3275 [52]
1-Octanol 303.15 - 0.3502 [52]
1-Octanol 308.15 - 0.3768 [52]
1-Octanol 313.15 - 0.4122 [52]
1-Octanol 318.15 - 0.4517 [52]
1-Octanol 323.15 - 0.5 [52]
1-Octanol 328.15 - 0.5598 [52]
1-Octanol 333.15 - 0.631 [52]
Water 298.15 - 0.0527 [49]
Water 303.15 - 0.06569 [49]
Water 308.15 - 0.0818 [49]
Water 313.15 - 0.0997 [49]
Water 318.15 - 0.1237 [49]
Water 323.15 - 0.149 [49]
Water 328.15 - 0.179 [49]
Water 333.15 - 0.2161 [49]

Molecule 3D descriptors

Descriptor Value
PMI1 1055.5414
PMI2 2684.5716
PMI3 3361.9809
NPR1 0.3140
NPR2 0.7985
RadiusOfGyration 3.3827
InertialShapeFactor 0.0008
Eccentricity 0.9494
Asphericity 0.3344
SpherocityIndex 0.2140
PBF 0.7908