Base information
| Cat. No. | |
| CAS No. | 143584-75-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16O3S |
| Molecular Weight | 252.329 |
| Exact Mass | 252.082 |
| XLogP3 | 2.6316 |
| Mr | 70.1933 |
| PSA | 79.67 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CSCC(C(=O)O)CC(=O)c1ccc(cc1)C |
