Nitazoxanide

Compound Structure

CAS Number: 55981-09-4

Molecular Mass: 307.28 g/mol

Formula: C12H9N3O5S

Smiles: CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 288.15 - 37.42 [313]
1,4-Dioxane 293.15 - 47.81 [313]
1,4-Dioxane 298.15 - 60.74 [313]
1,4-Dioxane 303.15 - 75.23 [313]
1,4-Dioxane 308.15 - 92.25 [313]
1,4-Dioxane 313.15 - 113.1 [313]
1-Butanol 273.15 - 0.602 [313]
1-Butanol 278.15 - 0.7286 [313]
1-Butanol 283.15 - 0.871 [313]
1-Butanol 288.15 - 1.022 [313]
1-Butanol 293.15 - 1.189 [313]
1-Butanol 298.15 - 1.364 [313]
1-Butanol 303.15 - 1.567 [313]
1-Butanol 308.15 - 1.791 [313]
1-Butanol 313.15 - 2.033 [313]
1-Propanol 273.15 - 0.5787 [313]
1-Propanol 278.15 - 0.7219 [313]
1-Propanol 283.15 - 0.8761 [313]
1-Propanol 288.15 - 1.03 [313]
1-Propanol 293.15 - 1.19 [313]
1-Propanol 298.15 - 1.374 [313]
1-Propanol 303.15 - 1.59 [313]
1-Propanol 308.15 - 1.834 [313]
1-Propanol 313.15 - 2.115 [313]
Acetonitrile 273.15 - 4.94 [313]
Acetonitrile 278.15 - 5.53 [313]
Acetonitrile 283.15 - 6.129 [313]
Acetonitrile 288.15 - 6.772 [313]
Acetonitrile 293.15 - 7.464 [313]
Acetonitrile 298.15 - 8.233 [313]
Acetonitrile 303.15 - 9.113 [313]
Acetonitrile 308.15 - 10.23 [313]
Acetonitrile 313.15 - 11.47 [313]
Dimethylformamide 273.15 - 277.0 [313]
Dimethylformamide 278.15 - 288.7 [314]
Dimethylformamide 278.15 - 291.6 [313]
Dimethylformamide 283.15 - 310.8 [314]
Dimethylformamide 283.15 - 308.6 [313]
Dimethylformamide 288.15 - 334.5 [314]
Dimethylformamide 288.15 - 325.6 [313]
Dimethylformamide 293.15 - 358.5 [314]
Dimethylformamide 293.15 - 345.3 [313]
Dimethylformamide 298.15 - 383.9 [314]
Dimethylformamide 298.15 - 366.9 [313]
Dimethylformamide 303.15 - 406.8 [314]
Dimethylformamide 303.15 - 390.7 [313]
Dimethylformamide 308.15 - 432.7 [314]
Dimethylformamide 308.15 - 421.8 [313]
Dimethylformamide 313.15 - 461.8 [314]
Dimethylformamide 313.15 - 454.9 [313]
Dimethylformamide 318.15 - 490.7 [314]
Dimethylformamide 323.15 - 516.8 [314]
Ethanol 273.15 - 0.6298 [313]
Ethanol 278.15 - 0.7871 [313]
Ethanol 283.15 - 0.9524 [313]
Ethanol 288.15 - 1.117 [313]
Ethanol 293.15 - 1.296 [313]
Ethanol 298.15 - 1.493 [313]
Ethanol 303.15 - 1.725 [313]
Ethanol 308.15 - 1.995 [313]
Ethanol 313.15 - 2.32 [313]
Ethyl acetate 273.15 - 5.993 [313]
Ethyl acetate 278.15 - 6.613 [313]
Ethyl acetate 283.15 - 7.307 [313]
Ethyl acetate 288.15 - 7.993 [313]
Ethyl acetate 293.15 - 8.692 [313]
Ethyl acetate 298.15 - 9.393 [313]
Ethyl acetate 303.15 - 10.25 [313]
Ethyl acetate 308.15 - 11.19 [313]
Ethyl acetate 313.15 - 12.24 [313]
Isopropanol 273.15 - 0.6653 [313]
Isopropanol 278.15 - 0.8381 [314]
Isopropanol 278.15 - 0.8251 [313]
Isopropanol 283.15 - 0.9713 [314]
Isopropanol 283.15 - 0.9872 [313]
Isopropanol 288.15 - 1.118 [314]
Isopropanol 288.15 - 1.16 [313]
Isopropanol 293.15 - 1.283 [314]
Isopropanol 293.15 - 1.338 [313]
Isopropanol 298.15 - 1.468 [314]
Isopropanol 298.15 - 1.53 [313]
Isopropanol 303.15 - 1.666 [314]
Isopropanol 303.15 - 1.733 [313]
Isopropanol 308.15 - 1.883 [314]
Isopropanol 308.15 - 1.984 [313]
Isopropanol 313.15 - 2.129 [314]
Isopropanol 313.15 - 2.28 [313]
Isopropanol 318.15 - 2.373 [314]
Isopropanol 323.15 - 2.659 [314]
Methanol 273.15 - 0.8001 [313]
Methanol 278.15 - 0.9731 [313]
Methanol 283.15 - 1.15 [313]
Methanol 288.15 - 1.351 [313]
Methanol 293.15 - 1.533 [313]
Methanol 298.15 - 1.73 [313]
Methanol 303.15 - 1.957 [313]
Methanol 308.15 - 2.221 [313]
Methanol 313.15 - 2.474 [313]
Methyl ethyl ketone 273.15 - 11.79 [313]
Methyl ethyl ketone 278.15 - 17.45 [313]
Methyl ethyl ketone 283.15 - 23.1 [313]
Methyl ethyl ketone 288.15 - 29.92 [313]
Methyl ethyl ketone 293.15 - 37.14 [313]
Methyl ethyl ketone 298.15 - 45.38 [313]
Methyl ethyl ketone 303.15 - 54.28 [313]
Methyl ethyl ketone 308.15 - 65.6 [313]
Methyl ethyl ketone 313.15 - 78.16 [313]
N-Methyl-2-pyrrolidone 273.15 - 313.6 [313]
N-Methyl-2-pyrrolidone 278.15 - 317.3 [314]
N-Methyl-2-pyrrolidone 278.15 - 320.6 [313]
N-Methyl-2-pyrrolidone 283.15 - 331.1 [314]
N-Methyl-2-pyrrolidone 283.15 - 329.4 [313]
N-Methyl-2-pyrrolidone 288.15 - 343.2 [314]
N-Methyl-2-pyrrolidone 288.15 - 338.6 [313]
N-Methyl-2-pyrrolidone 293.15 - 356.7 [314]
N-Methyl-2-pyrrolidone 293.15 - 348.2 [313]
N-Methyl-2-pyrrolidone 298.15 - 369.6 [314]
N-Methyl-2-pyrrolidone 298.15 - 359.3 [313]
N-Methyl-2-pyrrolidone 303.15 - 382.5 [314]
N-Methyl-2-pyrrolidone 303.15 - 371.8 [313]
N-Methyl-2-pyrrolidone 308.15 - 396.6 [314]
N-Methyl-2-pyrrolidone 308.15 - 385.4 [313]
N-Methyl-2-pyrrolidone 313.15 - 411.8 [314]
N-Methyl-2-pyrrolidone 313.15 - 399.8 [313]
N-Methyl-2-pyrrolidone 318.15 - 424.8 [314]
N-Methyl-2-pyrrolidone 323.15 - 437.6 [314]
Toluene 273.15 - 0.224 [313]
Toluene 278.15 - 0.291 [313]
Toluene 283.15 - 0.3594 [313]
Toluene 288.15 - 0.4244 [313]
Toluene 293.15 - 0.492 [313]
Toluene 298.15 - 0.5666 [313]
Toluene 303.15 - 0.6436 [313]
Toluene 308.15 - 0.734 [313]
Toluene 313.15 - 0.8234 [313]
Water 278.15 - 0.0022 [314]
Water 283.15 - 0.0028 [314]
Water 288.15 - 0.0038 [314]
Water 293.15 - 0.005 [314]
Water 298.15 - 0.0065 [314]
Water 303.15 - 0.0085 [314]
Water 308.15 - 0.0107 [314]
Water 313.15 - 0.0137 [314]
Water 318.15 - 0.0167 [314]
Water 323.15 - 0.0209 [314]

Molecule 3D descriptors

Descriptor Value
PMI1 824.5365
PMI2 3512.6710
PMI3 3987.1568
NPR1 0.2068
NPR2 0.8810
RadiusOfGyration 3.6803
InertialShapeFactor 0.0011
Eccentricity 0.9784
Asphericity 0.5037
SpherocityIndex 0.1204
PBF 0.6449