Base information
| Cat. No. | |
| CAS No. | 74401-04-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17NO5S |
| Molecular Weight | 335.375 |
| Exact Mass | 335.083 |
| XLogP3 | 2.6678 |
| Mr | 87.4809 |
| PSA | 95.76 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COS(=O)(=O)[O-].O=Cc1ccc(cc1)C=Cc1cc[n+](cc1)C |
