Base information
| Cat. No. | |
| CAS No. | 4658-28-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12N7S+ |
| Molecular Weight | 226.282 |
| Exact Mass | 226.087 |
| XLogP3 | 1.7684 |
| Mr | 58.0804 |
| PSA | 114.71 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CSc1nc(N)nc(n1)N=[N+]=NC(C)C |
