Sulfamethoxydiazine

Compound Structure

CAS Number: 651-06-9

Molecular Mass: 280.31 g/mol

Formula: C11H12N4O3S

Smiles: COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 298.15 - 0.1557 [52]
1-Octanol 303.15 - 0.1659 [52]
1-Octanol 308.15 - 0.1766 [52]
1-Octanol 313.15 - 0.1879 [52]
1-Octanol 318.15 - 0.2002 [52]
1-Octanol 323.15 - 0.2128 [52]
1-Octanol 328.15 - 0.2271 [52]
1-Octanol 333.15 - 0.2422 [52]
Water 298.15 - 0.0856 [49]
Water 303.15 - 0.1114 [49]
Water 308.15 - 0.1432 [49]
Water 313.15 - 0.18 [49]
Water 318.15 - 0.2282 [49]
Water 323.15 - 0.2887 [49]
Water 328.15 - 0.3586 [49]
Water 333.15 - 0.4461 [49]

Molecule 3D descriptors

Descriptor Value
PMI1 876.5927
PMI2 2533.3208
PMI3 3100.5194
NPR1 0.2827
NPR2 0.8171
RadiusOfGyration 3.4078
InertialShapeFactor 0.0009
Eccentricity 0.9592
Asphericity 0.3781
SpherocityIndex 0.1726
PBF 0.7472