Base information
| Cat. No. | |
| CAS No. | 845790-49-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14O3S |
| Molecular Weight | 238.303 |
| Exact Mass | 238.066 |
| XLogP3 | 2.8461 |
| Mr | 64.5503 |
| PSA | 79.67 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CSc1ccc(cc1)C(=O)CCCC(=O)O |
