Base information
| Cat. No. | |
| CAS No. | 88579-23-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16OS |
| Molecular Weight | 220.331 |
| Exact Mass | 220.092 |
| XLogP3 | 3.6626 |
| Mr | 65.5135 |
| PSA | 42.37 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1ccc2c(c1)C(C)(C)CCS2 |
