HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine
N-acetyl-3-carboxy-5-cyanotetrahydro-1,4-2H-thiazine
Identifiers & Physical Properties
| CAS No. | 74514-76-4 |
|---|---|
| Molecular formula | C8H8N2O4S |
| Average molar mass | 228.23 g/mol |
| Monoisotopic mass | 228.02047791 g/mol |
| SMILES | CC(=O)N1C(=S)C(C(=O)O)OCC1C#N |
| InChIKey | HJRFYKCNCXAIPA-UHFFFAOYSA-N |
| PubChem CID | 173291 |
| DTXSID | DTXSID30996028 |
Chemical & Physical Properties
| XLogP | -0.6 |
|---|---|
| Topological polar surface area | 123 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 372 |