Base information
| Cat. No. | |
| CAS No. | 168431-73-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H13N3O4S |
| Molecular Weight | 271.293 |
| Exact Mass | 271.063 |
| XLogP3 | 1.90506 |
| Mr | 61.1838 |
| PSA | 121.73 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(CN=[N+]=[N-])COS(=O)(=O)c1ccc(cc1)C |
