Base information
| Cat. No. | |
| CAS No. | 3112-87-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H12O2S |
| Molecular Weight | 196.266 |
| Exact Mass | 196.056 |
| XLogP3 | 3.0355 |
| Mr | 53.642 |
| PSA | 42.52 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C=CCS(=O)(=O)c1ccc(cc1)C |
