Tiopronin

Compound Structure

CAS Number: 1953-02-2

Molecular Mass: 163.2 g/mol

Formula: C5H9NO3S

Smiles: CC(S)C(=O)NCC(=O)O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 273.15 - 46.8 [492]
1-Butanol 278.15 - 58.03 [492]
1-Butanol 283.15 - 70.89 [492]
1-Butanol 288.15 - 84.61 [492]
1-Butanol 293.15 - 99.57 [492]
1-Butanol 298.15 - 116.1 [492]
1-Butanol 303.15 - 134.8 [492]
1-Butanol 308.15 - 155.1 [492]
1-Butanol 313.15 - 176.7 [492]
1-Butanol 318.15 - 199.9 [492]
Acetonitrile 273.15 - 30.54 [492]
Acetonitrile 278.15 - 33.63 [492]
Acetonitrile 283.15 - 36.69 [492]
Acetonitrile 288.15 - 40.06 [492]
Acetonitrile 293.15 - 43.65 [492]
Acetonitrile 298.15 - 47.38 [492]
Acetonitrile 303.15 - 51.41 [492]
Acetonitrile 308.15 - 55.87 [492]
Acetonitrile 313.15 - 60.31 [492]
Acetonitrile 318.15 - 64.99 [492]
Isobutanol 273.15 - 21.75 [492]
Isobutanol 278.15 - 25.57 [492]
Isobutanol 283.15 - 30.17 [492]
Isobutanol 288.15 - 34.47 [492]
Isobutanol 293.15 - 39.09 [492]
Isobutanol 298.15 - 44.47 [492]
Isobutanol 303.15 - 50.63 [492]
Isobutanol 308.15 - 57.62 [492]
Isobutanol 313.15 - 65.62 [492]
Isobutanol 318.15 - 74.16 [492]
Toluene 273.15 - 0.518 [492]
Toluene 278.15 - 0.578 [492]
Toluene 283.15 - 0.637 [492]
Toluene 288.15 - 0.695 [492]
Toluene 293.15 - 0.77 [492]
Toluene 298.15 - 0.856 [492]
Toluene 303.15 - 0.942 [492]
Toluene 308.15 - 1.04 [492]
Toluene 313.15 - 1.16 [492]
Toluene 318.15 - 1.301 [492]

Molecule 3D descriptors

Descriptor Value
PMI1 178.0251
PMI2 1123.6112
PMI3 1198.5083
NPR1 0.1485
NPR2 0.9375
RadiusOfGyration 2.7676
InertialShapeFactor 0.0053
Eccentricity 0.9889
Asphericity 0.6211
SpherocityIndex 0.2143
PBF 0.5930