Base information
| Cat. No. | |
| CAS No. | 1193111-39-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14N2O7S3 |
| Molecular Weight | 406.454 |
| Exact Mass | 405.996 |
| XLogP3 | 2.0943 |
| Mr | 94.1158 |
| PSA | 189.92 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | O=C(C(S(=O)(=O)O)CCSSc1ccccn1)ON1C(=O)CCC1=O |
