Base information
| Cat. No. | |
| CAS No. | 496-31-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8OS |
| Molecular Weight | 164.224 |
| Exact Mass | 164.03 |
| XLogP3 | 2.0709 |
| Mr | 47.518 |
| PSA | 42.37 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1CC=C2C(S1)C=CC=C2 |
