Base information
| Cat. No. | |
| CAS No. | 53119-25-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.256 |
| Exact Mass | 168.061 |
| XLogP3 | 3.121 |
| Mr | 48.9345 |
| PSA | 45.31 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCCC(=O)c1cccs1 |
