Base information
| Cat. No. | |
| CAS No. | 61-57-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4O3S |
| Molecular Weight | 214.202 |
| Exact Mass | 214.016 |
| XLogP3 | 1.4979 |
| Mr | 58.0767 |
| PSA | 119.29 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=C1NCCN1c1ncc(s1)[N+](=O)[O-] |
