2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(2-thienyl)-

Base Information

• Chemical Name: 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(2-thienyl)-
• CAS No.: 61380-92-5
• Molecular Formula: C11H7NO2S2
• Molecular Weight: 249.314
• DSSTox Substance ID: DTXSID50447340
• Nikkaji Number: J1.221.636J
• Wikidata: Q82266201
• ChEMBL ID: CHEMBL110569

Synonyms:61380-92-5;2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(2-thienyl)-;4-methylsulfanyl-2-oxo-6-thiophen-2-ylpyran-3-carbonitrile;CHEMBL110569;DTXSID50447340;BDBM50498071;AKOS022664137;3-Cyano-4-(methylthio)-6-(2-thienyl)-2H-pyran-2-one;4-methylsulfanyl-2-oxo-6-(2-thienyl)pyran-3-carbonitrile

Chemical Property of 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-(2-thienyl)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 248.99182081
• Heavy Atom Count: 16
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C(=O)OC(=C1)C2=CC=CS2)C#N

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