Base information
| Cat. No. | |
| CAS No. | 599-91-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H14O3S |
| Molecular Weight | 214.281 |
| Exact Mass | 214.066 |
| XLogP3 | 3.1911 |
| Mr | 55.201 |
| PSA | 51.75 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCOS(=O)(=O)c1ccc(cc1)C |
