Base information
| Cat. No. | |
| CAS No. | 111082-76-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H19NO4S |
| Molecular Weight | 321.391 |
| Exact Mass | 321.103 |
| XLogP3 | 3.8126 |
| Mr | 86.7255 |
| PSA | 103.87 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 42 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1csc2c1cccc2 |
