Base information
| Cat. No. | |
| CAS No. | 53554-29-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10N2O3S |
| Molecular Weight | 214.242 |
| Exact Mass | 214.041 |
| XLogP3 | 0.6685 |
| Mr | 52.6652 |
| PSA | 97.35 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cnc([nH]c1=O)SC |
