ST50993150
6-(4-bromophenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile
Also Known As: 3-Cyano-4-(methylthio)-6-(4-bromophenyl)-2H-pyran-2-one|6-(4-bromophenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile|2H-Pyran-3-carbonitrile, 6-(4-bromophenyl)-4-(methylthio)-2-oxo-|6-(4-bromophenyl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile|6-(4-bromophenyl)-4-methylthio-2-oxopyran-3-carbonitrile|6-(4-bromophenyl)-4-methylsulfanyl-2-oxo-pyran-3-carbonitrile|2-Oxo-4-(methylthio)-6-(4-bromophenyl)-2H-pyran-3-carbonitrile|6-(4-Bromo-phenyl)-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile|6-(4-Bromophenyl)-2-oxo-4-(methylthio)-2H-pyran-3-carbonitrile
| Molecular Formula | C13H8BrNO2S |
|---|---|
| Molecular Weight | 320.94592 g/mol |
| LogP | 3.66288 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.94592 |
| Monoisotopic Mass | 320.94592 |
| Heavy Atoms | 18 |
| Complexity | 670.8711 |
Chemical Identifiers
| CAS Number | 61380-87-8 |
|---|---|
| SMILES | CSC1=C(C(=O)OC(=C1)C2=CC=C(C=C2)Br)C#N |
Product Overview
ST50993150 (CAS 61380-87-8), with molecular formula C13H8BrNO2S and molecular weight 320.94592 g/mol. IUPAC: 6-(4-bromophenyl)-4-methylsulfanyl-2-oxopyran-3-carbonitrile.