Base information
| Cat. No. | |
| CAS No. | 53278-21-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H12O3S |
| Molecular Weight | 224.276 |
| Exact Mass | 224.051 |
| XLogP3 | 2.1543 |
| Mr | 59.2565 |
| PSA | 68.67 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccccc1SCC(=O)C |
