Base information
| Cat. No. | |
| CAS No. | 70953-18-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15N3O5S2 |
| Molecular Weight | 357.405 |
| Exact Mass | 357.045 |
| XLogP3 | 0.30458 |
| Mr | 87.7415 |
| PSA | 170.33 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 39 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CO[C@]1(NC(=O)CSCC#N)[C@H]2SCC(=C(N2C1=O)C(=O)O)C |
