Base information
| Cat. No. | |
| CAS No. | 28795-33-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H13N3O2S |
| Molecular Weight | 215.273 |
| Exact Mass | 215.073 |
| XLogP3 | 2.376 |
| Mr | 59.289 |
| PSA | 88.94 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCSCCn1c(C)ncc1[N+](=O)[O-] |
