Sulfamethazine

Compound Structure

CAS Number: 57-68-1

Molecular Mass: 278.33 g/mol

Formula: C12H14N4O2S

Smiles: Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 298.15 - 0.4445 [52]
1-Octanol 298.15 - 0.4443 [50]
1-Octanol 303.15 - 0.5178 [52]
1-Octanol 303.15 - 0.5214 [50]
1-Octanol 308.15 - 0.5878 [52]
1-Octanol 308.15 - 0.5884 [50]
1-Octanol 313.15 - 0.6584 [52]
1-Octanol 313.15 - 0.7163 [50]
1-Octanol 318.15 - 0.7375 [52]
1-Octanol 323.15 - 0.8213 [52]
1-Octanol 328.15 - 0.9215 [52]
1-Octanol 333.15 - 0.999 [52]
1-Propanol 293.15 - 2.201 [51]
1-Propanol 293.15 - 0.0102 [47]
1-Propanol 298.15 - 2.401 [51]
1-Propanol 298.15 - 0.01839 [47]
1-Propanol 303.15 - 2.574 [51]
1-Propanol 303.15 - 0.0306 [47]
1-Propanol 308.15 - 3.08 [51]
1-Propanol 308.15 - 0.0468 [47]
1-Propanol 313.15 - 3.698 [51]
1-Propanol 313.15 - 0.0673 [47]
Acetone 293.15 - 0.0546 [47]
Acetone 298.15 - 0.06898 [47]
Acetone 303.15 - 0.0833 [47]
Acetone 308.15 - 0.1032 [47]
Acetone 313.15 - 0.1231 [47]
Chloroform 293.15 - 0.4849 [47]
Chloroform 298.15 - 0.4993 [47]
Chloroform 303.15 - 0.5173 [47]
Chloroform 308.15 - 0.5574 [47]
Chloroform 313.15 - 0.6282 [47]
Ethanol 293.15 - 0.3564 [46]
Ethanol 293.15 - 0.04489 [47]
Ethanol 298.15 - 0.4357 [46]
Ethanol 298.15 - 0.0577 [47]
Ethanol 303.15 - 0.5129 [46]
Ethanol 303.15 - 0.0715 [47]
Ethanol 308.15 - 0.6094 [46]
Ethanol 308.15 - 0.0903 [47]
Ethanol 313.15 - 0.7573 [46]
Ethanol 313.15 - 0.1112 [47]
Methanol 293.15 - 0.0652 [47]
Methanol 298.15 - 0.0888 [47]
Methanol 303.15 - 0.1187 [47]
Methanol 308.15 - 0.1564 [47]
Methanol 313.15 - 0.2024 [47]
Propylene Glycol 298.15 - 11.18 [48]
Water 293.15 - 0.03424 [46]
Water 298.15 - 0.04329 [46]
Water 298.15 - 0.4329 [48]
Water 298.15 - 0.4497 [49]
Water 298.15 - 0.4461 [50]
Water 303.15 - 0.05645 [46]
Water 303.15 - 0.5484 [49]
Water 303.15 - 0.5558 [50]
Water 308.15 - 0.0665 [46]
Water 308.15 - 0.6432 [49]
Water 308.15 - 0.6518 [50]
Water 313.15 - 0.08508 [46]
Water 313.15 - 0.7517 [49]
Water 313.15 - 0.7933 [50]
Water 318.15 - 0.8895 [49]
Water 323.15 - 1.036 [49]
Water 328.15 - 1.199 [49]
Water 333.15 - 1.395 [49]

Molecule 3D descriptors

Descriptor Value
PMI1 903.3185
PMI2 2163.1555
PMI3 2686.3398
NPR1 0.3363
NPR2 0.8052
RadiusOfGyration 3.2147
InertialShapeFactor 0.0009
Eccentricity 0.9418
Asphericity 0.3046
SpherocityIndex 0.2085
PBF 0.7873