Base information
| Cat. No. | |
| CAS No. | 115-31-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H19NO2S |
| Molecular Weight | 253.36 |
| Exact Mass | 253.114 |
| XLogP3 | 2.95868 |
| Mr | 68.482 |
| PSA | 75.39 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CSCC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C |
