Base information
| Cat. No. | |
| CAS No. | 1253654-53-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O2S |
| Molecular Weight | 196.226 |
| Exact Mass | 196.031 |
| XLogP3 | 1.49988 |
| Mr | 47.8815 |
| PSA | 91.22 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Cc1nc(sc1C(=O)OCC)C#N |
