Base information
| Cat. No. | |
| CAS No. | 1137725-46-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO2S3 |
| Molecular Weight | 263.4 |
| Exact Mass | 263.011 |
| XLogP3 | 2.90468 |
| Mr | 69.9088 |
| PSA | 143.78 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 27 |
| Ring number | 0 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CC(C#N)(SC(=S)SCC)CCC(=O)O |
