Base information
| Cat. No. | |
| CAS No. | 178685-33-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H19N3O5S |
| Molecular Weight | 329.372 |
| Exact Mass | 329.105 |
| XLogP3 | 2.57736 |
| Mr | 76.613 |
| PSA | 119.96 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 41 |
| Ring number | 1 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | [N-]=[N+]=NCCOCCOCCOS(=O)(=O)c1ccc(cc1)C |
