Base information
| Cat. No. | |
| CAS No. | 89639-87-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| Exact Mass | 172.019 |
| XLogP3 | 1.5974 |
| Mr | 42.6508 |
| PSA | 75.74 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CSCc1ccco1 |
