2,6-diamino-4-(4-bromo-2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(4-bromo-2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: 2,6-diamino-4-(4-bromo-2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile|AK-777/11281036|2,6-diamino-4-(4-bromo-2-fluoro-phenyl)-4H-thiopyran-3,5-dicarbonitrile
CAS: 316357-91-2
| Molecular Formula | C13H8BrFN4S |
|---|---|
| Molecular Weight | 349.9637 g/mol |
| LogP | 2.80636 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.9637 |
| Monoisotopic Mass | 349.9637 |
| Heavy Atoms | 20 |
| Complexity | 690.8672 |
Chemical Identifiers
| CAS Number | 316357-91-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)F)C2C(=C(SC(=C2C#N)N)N)C#N |
Product Overview
2,6-diamino-4-(4-bromo-2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 316357-91-2), with molecular formula C13H8BrFN4S and molecular weight 349.9637 g/mol. IUPAC: 2,6-diamino-4-(4-bromo-2-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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