Biotin

Compound Structure

CAS Number: 58-85-5

Molecular Mass: 244.31 g/mol

Formula: C10H16N2O3S

Smiles: O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetic acid 298.15 - 9.606 [411]
Acetic acid 303.15 - 12.01 [411]
Acetic acid 308.15 - 14.76 [411]
Acetic acid 313.25 - 17.8 [411]
Acetic acid 317.95 - 21.28 [411]
Acetic acid 323.45 - 26.87 [411]
Acetic acid 327.85 - 31.75 [411]
Acetic acid 333.25 - 38.05 [411]
Dimethyl sulfoxide 298.15 - 134.5 [411]
Dimethyl sulfoxide 303.15 - 151.3 [411]
Dimethyl sulfoxide 308.15 - 170.6 [411]
Dimethyl sulfoxide 313.15 - 188.9 [411]
Dimethyl sulfoxide 318.05 - 207.8 [411]
Dimethyl sulfoxide 322.75 - 226.4 [411]
Dimethyl sulfoxide 327.65 - 246.0 [411]
Dimethyl sulfoxide 332.85 - 268.0 [411]
Dimethylformamide 298.65 - 11.28 [411]
Dimethylformamide 303.25 - 13.01 [411]
Dimethylformamide 308.15 - 15.59 [411]
Dimethylformamide 313.15 - 18.84 [411]
Dimethylformamide 318.15 - 23.35 [411]
Dimethylformamide 323.25 - 27.99 [411]
Dimethylformamide 328.15 - 33.02 [411]
Dimethylformamide 333.15 - 39.36 [411]
Ethanol 298.15 - 0.2645 [411]
Ethanol 302.95 - 0.3598 [411]
Ethanol 308.85 - 0.5459 [411]
Ethanol 313.95 - 0.7186 [411]
Ethanol 318.45 - 0.9362 [411]
Ethanol 323.55 - 1.252 [411]
Ethanol 329.35 - 1.777 [411]
Ethanol 333.85 - 2.327 [411]
Methanol 298.15 - 0.4149 [411]
Methanol 302.75 - 0.5588 [411]
Methanol 308.05 - 0.8476 [411]
Methanol 313.25 - 1.226 [411]
Methanol 317.85 - 1.746 [411]
Methanol 323.55 - 2.673 [411]
Methanol 327.65 - 3.475 [411]
Methanol 332.95 - 4.956 [411]
Water 298.15 - 0.0672 [411]
Water 303.15 - 0.1105 [411]
Water 308.05 - 0.1722 [411]
Water 312.75 - 0.2766 [411]
Water 318.55 - 0.473 [411]
Water 323.15 - 0.7269 [411]
Water 328.95 - 1.219 [411]
Water 332.95 - 1.714 [411]

Molecule 3D descriptors

Descriptor Value
PMI1 636.3648
PMI2 2534.2587
PMI3 2797.0077
NPR1 0.2275
NPR2 0.9061
RadiusOfGyration 3.4947
InertialShapeFactor 0.0014
Eccentricity 0.9738
Asphericity 0.4683
SpherocityIndex 0.3392
PBF 0.9642