Base information
| Cat. No. | |
| CAS No. | 1223-31-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N2O4S |
| Molecular Weight | 276.268 |
| Exact Mass | 276.02 |
| XLogP3 | 4.7006 |
| Mr | 74.651 |
| PSA | 116.94 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-] |
