Captopril

Compound Structure

CAS Number: 62571-86-2

Molecular Mass: 217.29 g/mol

Formula: C9H15NO3S

Smiles: C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetone 278.15 - 84.59 [453]
Acetone 283.15 - 104.6 [453]
Acetone 288.15 - 127.1 [453]
Acetone 293.15 - 154.9 [453]
Acetone 298.15 - 190.1 [453]
Acetone 303.15 - 237.6 [453]
Acetone 308.15 - 295.9 [453]
Acetone 313.15 - 372.8 [453]
Acetonitrile 278.15 - 38.92 [453]
Acetonitrile 283.15 - 55.05 [453]
Acetonitrile 288.15 - 77.04 [453]
Acetonitrile 293.15 - 104.2 [453]
Acetonitrile 298.15 - 136.9 [453]
Acetonitrile 303.15 - 187.0 [453]
Acetonitrile 308.15 - 261.5 [453]
Acetonitrile 313.15 - 366.7 [453]
Butyl acetate 278.15 - 7.768 [453]
Butyl acetate 283.15 - 9.71 [453]
Butyl acetate 288.15 - 11.8 [453]
Butyl acetate 293.15 - 14.43 [453]
Butyl acetate 298.15 - 17.65 [453]
Butyl acetate 303.15 - 21.64 [453]
Butyl acetate 308.15 - 26.66 [453]
Butyl acetate 313.15 - 33.2 [453]
Ethyl acetate 278.15 - 14.02 [453]
Ethyl acetate 283.15 - 17.63 [453]
Ethyl acetate 288.15 - 21.62 [453]
Ethyl acetate 293.15 - 27.27 [453]
Ethyl acetate 298.15 - 33.89 [453]
Ethyl acetate 303.15 - 42.09 [453]
Ethyl acetate 308.15 - 52.5 [453]
Ethyl acetate 313.15 - 65.57 [453]
Isopropanol 278.15 - 93.8 [453]
Isopropanol 283.15 - 120.1 [453]
Isopropanol 288.15 - 155.3 [453]
Isopropanol 293.15 - 199.5 [453]
Isopropanol 298.15 - 260.5 [453]
Isopropanol 303.15 - 331.7 [453]
Isopropanol 308.15 - 414.2 [453]
Isopropanol 313.15 - 519.2 [453]
Methyl acetate 278.15 - 42.11 [453]
Methyl acetate 283.15 - 52.15 [453]
Methyl acetate 288.15 - 63.13 [453]
Methyl acetate 293.15 - 76.45 [453]
Methyl acetate 298.15 - 93.54 [453]
Methyl acetate 303.15 - 115.0 [453]
Methyl acetate 308.15 - 142.3 [453]
Methyl acetate 313.15 - 177.3 [453]

Molecule 3D descriptors

Descriptor Value
PMI1 490.9439
PMI2 1448.0564
PMI3 1508.1379
NPR1 0.3255
NPR2 0.9602
RadiusOfGyration 2.8164
InertialShapeFactor 0.0020
Eccentricity 0.9455
Asphericity 0.3289
SpherocityIndex 0.5280
PBF 1.0573