Base information
| Cat. No. | |
| CAS No. | 496775-95-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H13NO2S |
| Molecular Weight | 259.324 |
| Exact Mass | 259.067 |
| XLogP3 | 3.1146 |
| Mr | 72.2113 |
| PSA | 75.49 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cccnc1SCCc1ccccc1 |
