Base information
| Cat. No. | |
| CAS No. | 745052-94-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14O3S |
| Molecular Weight | 250.313 |
| Exact Mass | 250.066 |
| XLogP3 | 2.6869 |
| Mr | 66.7565 |
| PSA | 68.67 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=O)c1ccc(cc1)SC1CC1 |
