Base information
| Cat. No. | |
| CAS No. | 68401-82-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14N5NaO5S2 |
| Molecular Weight | 407.401 |
| Exact Mass | 407.033 |
| XLogP3 | 0.4667 |
| Mr | 95.3029 |
| PSA | 200.75 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O.[NaH] |
