Base information
| Cat. No. | |
| CAS No. | 57780-75-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O2S |
| Molecular Weight | 212.269 |
| Exact Mass | 212.062 |
| XLogP3 | 3.7835 |
| Mr | 61.0034 |
| PSA | 97.14 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCSc1ccc(c(c1)N)[N+](=O)[O-] |
