Base information
| Cat. No. | |
| CAS No. | 1671-08-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8N2O2S |
| Molecular Weight | 172.205 |
| Exact Mass | 172.031 |
| XLogP3 | 0.5004 |
| Mr | 43.0707 |
| PSA | 80.28 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cnc([nH]c1=O)SC |
