Sulfamerazine

Compound Structure

CAS Number: 127-79-7

Molecular Mass: 264.31 g/mol

Formula: C11H12N4O2S

Smiles: Cc1ccnc(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 - 0.115 [50]
1-Octanol 303.15 - 0.1517 [50]
1-Octanol 308.15 - 0.1779 [50]
1-Octanol 313.15 - 0.2266 [50]
1-Propanol 293.15 - 0.6292 [51]
1-Propanol 298.15 - 0.7563 [51]
1-Propanol 303.15 - 0.9276 [51]
1-Propanol 308.15 - 1.069 [51]
1-Propanol 313.15 - 1.303 [51]
Acetonitrile 278.15 - 6.741 [53]
Acetonitrile 283.15 - 7.724 [53]
Acetonitrile 288.15 - 8.841 [53]
Acetonitrile 293.15 - 10.14 [53]
Acetonitrile 298.15 - 11.46 [53]
Acetonitrile 303.15 - 13.52 [53]
Acetonitrile 308.15 - 17.17 [53]
Acetonitrile 313.15 - 21.24 [53]
Acetonitrile 318.15 - 27.95 [53]
Ethanol 293.15 - 0.1241 [46]
Ethanol 298.15 - 0.1537 [46]
Ethanol 303.15 - 0.1832 [46]
Ethanol 308.15 - 0.2205 [46]
Ethanol 313.15 - 0.2818 [46]
Ethylene Glycol 278.15 - 2.212 [54]
Ethylene Glycol 283.15 - 2.52 [54]
Ethylene Glycol 288.15 - 2.898 [54]
Ethylene Glycol 293.15 - 3.269 [54]
Ethylene Glycol 298.15 - 3.68 [54]
Ethylene Glycol 303.15 - 3.96 [54]
Ethylene Glycol 308.15 - 4.461 [54]
Ethylene Glycol 313.15 - 5.248 [54]
Ethylene Glycol 318.15 - 5.98 [54]
Propylene Glycol 298.15 - 7.834 [48]
Water 278.15 - 0.0914 [53]
Water 283.15 - 0.128 [53]
Water 288.15 - 0.1558 [53]
Water 293.15 - 0.01962 [46]
Water 293.15 - 0.1963 [53]
Water 298.15 - 0.02501 [46]
Water 298.15 - 0.2501 [53]
Water 298.15 - 0.2121 [50]
Water 303.15 - 0.03053 [46]
Water 303.15 - 0.3053 [53]
Water 303.15 - 0.2518 [50]
Water 308.15 - 0.03763 [46]
Water 308.15 - 0.3763 [53]
Water 308.15 - 0.327 [50]
Water 313.15 - 0.046 [46]
Water 313.15 - 0.46 [53]
Water 313.15 - 0.4099 [50]
Water 318.15 - 0.6189 [53]

Molecule 3D descriptors

Descriptor Value
PMI1 732.4624
PMI2 2129.8368
PMI3 2525.8550
NPR1 0.2900
NPR2 0.8432
RadiusOfGyration 3.1926
InertialShapeFactor 0.0012
Eccentricity 0.9570
Asphericity 0.3669
SpherocityIndex 0.2088
PBF 0.7825