Hydrochlorothiazide

Compound Structure

CAS Number: 58-93-5

Molecular Mass: 297.7 g/mol

Formula: C7H8ClN3O4S2

Smiles: NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Pentanol 282.94 - 0.122 [384]
1-Pentanol 288.39 - 0.163 [384]
1-Pentanol 293.37 - 0.212 [384]
1-Pentanol 297.82 - 0.269 [384]
1-Pentanol 302.63 - 0.3465 [384]
1-Pentanol 307.76 - 0.4508 [384]
1-Pentanol 312.95 - 0.5811 [384]
1-Pentanol 317.7 - 0.7346 [384]
1-Pentanol 322.05 - 0.8899 [384]
1-Propanol 283.25 - 1.187 [384]
1-Propanol 288.75 - 1.428 [384]
1-Propanol 293.95 - 1.747 [384]
1-Propanol 298.65 - 2.0 [384]
1-Propanol 303.65 - 2.4 [384]
1-Propanol 308.65 - 2.808 [384]
1-Propanol 313.35 - 3.263 [384]
1-Propanol 317.85 - 3.796 [384]
1-Propanol 325.15 - 4.624 [384]
2-Butanol 283.3 - 0.406 [384]
2-Butanol 288.24 - 0.5179 [384]
2-Butanol 293.17 - 0.6545 [384]
2-Butanol 298.2 - 0.8443 [384]
2-Butanol 303.04 - 1.071 [384]
2-Butanol 307.85 - 1.346 [384]
2-Butanol 312.91 - 1.703 [384]
2-Butanol 318.03 - 2.142 [384]
2-Butanol 323.13 - 2.669 [384]
Acetonitrile 283.15 - 17.18 [384]
Acetonitrile 288.15 - 18.27 [384]
Acetonitrile 293.25 - 19.43 [384]
Acetonitrile 298.15 - 20.25 [384]
Acetonitrile 303.15 - 21.47 [384]
Acetonitrile 308.05 - 22.52 [384]
Acetonitrile 313.65 - 23.5 [384]
Acetonitrile 318.25 - 25.18 [384]
Acetonitrile 323.45 - 26.33 [384]
Ethanol 279.95 - 7.974 [384]
Ethanol 285.86 - 8.614 [384]
Ethanol 291.46 - 9.463 [384]
Ethanol 296.34 - 10.23 [384]
Ethanol 301.7 - 10.9 [384]
Ethanol 307.17 - 11.29 [384]
Ethanol 311.9 - 12.03 [384]
Ethanol 316.15 - 12.45 [384]
Ethanol 323.7 - 13.6 [384]
Ethyl acetate 283.15 - 2.59 [384]
Ethyl acetate 288.25 - 2.8 [384]
Ethyl acetate 293.05 - 2.958 [384]
Ethyl acetate 299.25 - 3.196 [384]
Ethyl acetate 303.25 - 3.392 [384]
Ethyl acetate 308.65 - 3.653 [384]
Ethyl acetate 313.25 - 3.819 [384]
Ethyl acetate 318.15 - 4.04 [384]
Ethyl acetate 323.05 - 4.152 [384]
Isobutanol 282.85 - 0.215 [384]
Isobutanol 288.0 - 0.278 [384]
Isobutanol 293.57 - 0.3767 [384]
Isobutanol 298.4 - 0.4903 [384]
Isobutanol 302.64 - 0.6128 [384]
Isobutanol 308.22 - 0.8189 [384]
Isobutanol 312.94 - 1.046 [384]
Isobutanol 317.83 - 1.339 [384]
Isobutanol 322.6 - 1.634 [384]
Isopropanol 283.33 - 0.8696 [384]
Isopropanol 288.3 - 1.127 [384]
Isopropanol 293.38 - 1.397 [384]
Isopropanol 298.49 - 1.773 [384]
Isopropanol 302.85 - 2.165 [384]
Isopropanol 307.9 - 2.804 [384]
Isopropanol 312.9 - 3.539 [384]
Isopropanol 318.16 - 4.409 [384]
Isopropanol 323.35 - 5.329 [384]
Methanol 283.05 - 26.67 [384]
Methanol 288.15 - 28.08 [384]
Methanol 293.15 - 29.34 [384]
Methanol 297.65 - 31.16 [384]
Methanol 303.45 - 32.71 [384]
Methanol 308.05 - 34.34 [384]
Methanol 313.15 - 36.13 [384]
Methanol 318.65 - 38.46 [384]
Methanol 323.35 - 40.85 [384]
Water 283.25 - 0.38 [384]
Water 287.95 - 0.462 [384]
Water 292.95 - 0.577 [384]
Water 298.15 - 0.692 [384]
Water 303.15 - 0.856 [384]
Water 308.15 - 1.07 [384]
Water 312.85 - 1.28 [384]
Water 318.15 - 1.57 [384]
Water 323.05 - 1.813 [384]

Molecule 3D descriptors

Descriptor Value
PMI1 780.5731
PMI2 2123.0511
PMI3 2682.3888
NPR1 0.2910
NPR2 0.7915
RadiusOfGyration 3.0628
InertialShapeFactor 0.0010
Eccentricity 0.9567
Asphericity 0.3674
SpherocityIndex 0.1405
PBF 0.4589