Base information
| Cat. No. | |
| CAS No. | 13678-68-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8O2S |
| Molecular Weight | 156.202 |
| Exact Mass | 156.025 |
| XLogP3 | 2.0593 |
| Mr | 41.079 |
| PSA | 55.51 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)SCc1ccco1 |
