Base information
| Cat. No. | |
| CAS No. | 100727-36-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO2S |
| Molecular Weight | 245.297 |
| Exact Mass | 245.051 |
| XLogP3 | 4.5069 |
| Mr | 72.421 |
| PSA | 71.12 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CSc1ccccc1c1ccc(cc1)[N+](=O)[O-] |
