Base information
| Cat. No. | |
| CAS No. | 111874-19-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO2S2 |
| Molecular Weight | 217.308 |
| Exact Mass | 217.023 |
| XLogP3 | 2.2197 |
| Mr | 55.1417 |
| PSA | 102.42 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Cc1c(CC(=O)OCC)sc(=S)[nH]1 |
