Base information
| Cat. No. | |
| CAS No. | 111625-28-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NOS2 |
| Molecular Weight | 187.282 |
| Exact Mass | 187.013 |
| XLogP3 | 1.8142 |
| Mr | 49.5178 |
| PSA | 83.72 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OCCSSc1ccccn1 |
