Base information
| Cat. No. | |
| CAS No. | 201611-92-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H13NO2S2 |
| Molecular Weight | 279.378 |
| Exact Mass | 279.039 |
| XLogP3 | 3.24238 |
| Mr | 77.1908 |
| PSA | 118.48 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | N#CC(SC(=S)c1ccccc1)(CCC(=O)O)C |
