Base information
| Cat. No. | |
| CAS No. | 131490-25-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NO3S |
| Molecular Weight | 171.174 |
| Exact Mass | 170.999 |
| XLogP3 | 1.1531 |
| Mr | 39.768 |
| PSA | 94.55 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cccc(=S)n1O |
