Base information
| Cat. No. | |
| CAS No. | 6613-64-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H13NO3S |
| Molecular Weight | 227.28 |
| Exact Mass | 227.062 |
| XLogP3 | 1.6332 |
| Mr | 58.4224 |
| PSA | 69.46 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C=Cc1cccc[n+]1CCCS(=O)(=O)[O-] |
