Base information
| Cat. No. | |
| CAS No. | 53599-14-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H19NO3S |
| Molecular Weight | 269.36 |
| Exact Mass | 269.109 |
| XLogP3 | 2.8192 |
| Mr | 74.0432 |
| PSA | 97.85 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 37 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)CSC([C@H](C(=O)O)N)(C)C |
