Base information
| Cat. No. | |
| CAS No. | 68617-64-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO2S2 |
| Molecular Weight | 215.293 |
| Exact Mass | 215.007 |
| XLogP3 | 2.2966 |
| Mr | 54.9348 |
| PSA | 100.79 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCSSc1ccccn1 |
