Dimethyl Sulfate
CAS Number: 77-78-1
Molecular Mass: 126.13 g/mol
Formula: C2H6O4S
Smiles: COS(=O)(=O)OC
Melting point: 530.2 °C
Boiling point: 640.0 °C
Density: - g/cm3
Dipole moment: - D
Refractive index: 10.6937
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 141.1447 |
| PMI2 | 266.0746 |
| PMI3 | 300.8743 |
| NPR1 | 0.4691 |
| NPR2 | 0.8843 |
| RadiusOfGyration | 1.6754 |
| InertialShapeFactor | 0.0063 |
| Eccentricity | 0.8831 |
| Asphericity | 0.1689 |
| SpherocityIndex | 0.2572 |
| PBF | 0.5280 |