Base information
| Cat. No. | |
| CAS No. | 80-18-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| Exact Mass | 172.019 |
| XLogP3 | 2.1025 |
| Mr | 40.621 |
| PSA | 51.75 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COS(=O)(=O)c1ccccc1 |
