Base information
| Cat. No. | |
| CAS No. | 106850-17-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O4S |
| Molecular Weight | 202.188 |
| Exact Mass | 202.005 |
| XLogP3 | 2.1295 |
| Mr | 48.8249 |
| PSA | 126.38 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1sc(c(c1)[N+](=O)[O-])N |
