ST50993148
4-methylsulfanyl-2-oxo-6-phenylpyran-3-carbonitrile
Also Known As: 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile|4-methylsulfanyl-2-oxo-6-phenylpyran-3-carbonitrile|4-(methylsulfanyl)-2-oxo-6-phenyl-2H-pyran-3-carbonitrile|2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-phenyl-|3-Cyano-4-(methylthio)-6-phenyl-2H-pyran-2-one|AK-087/42718434|4-methylsulfanyl-2-oxo-6-phenyl-pyran-3-carbonitrile|2-Oxo-4-(methylthio)-6-phenyl-2H-pyran-3-carbonitrile|4-methylsulfanyl-2-oxo-6-phenyl-2h-pyran-3-carbonitrile|6-Phenyl-2-oxo-4-(methylthio)-2H-pyran-3-carbonitrile|6-Phenyl-4-(methylthio)-2-oxo-2H-pyran-3-carbonitrile
| Molecular Formula | C13H9NO2S |
|---|---|
| Molecular Weight | 243.0354 g/mol |
| LogP | 2.90038 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.0354 |
| Monoisotopic Mass | 243.0354 |
| Heavy Atoms | 17 |
| Complexity | 626.1031 |
Chemical Identifiers
| CAS Number | 61380-85-6 |
|---|---|
| SMILES | CSC1=C(C(=O)OC(=C1)C2=CC=CC=C2)C#N |
Product Overview
ST50993148 (CAS 61380-85-6), with molecular formula C13H9NO2S and molecular weight 243.0354 g/mol. IUPAC: 4-methylsulfanyl-2-oxo-6-phenylpyran-3-carbonitrile.