Base information
| Cat. No. | |
| CAS No. | 65162-13-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H16N2O5S |
| Molecular Weight | 336.363 |
| Exact Mass | 336.078 |
| XLogP3 | 2.3949 |
| Mr | 86.0224 |
| PSA | 100.81 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COS(=O)(=O)[O-].COc1cccc2c1nc1ccccc1[n+]2C |
