2H-Pyran-3-carbonitrile, 4-(methylthio)-6-(1-naphthalenyl)-2-oxo-

Base Information

• Chemical Name: 2H-Pyran-3-carbonitrile, 4-(methylthio)-6-(1-naphthalenyl)-2-oxo-
• CAS No.: 502706-65-2
• Molecular Formula: C17H11NO2S
• Molecular Weight: 293.346
• DSSTox Substance ID: DTXSID70479502
• Nikkaji Number: J1.822.699E
• Wikidata: Q82313577
• Mol file: 502706-65-2.mol

Synonyms:502706-65-2;2H-Pyran-3-carbonitrile, 4-(methylthio)-6-(1-naphthalenyl)-2-oxo-;4-methylsulfanyl-6-naphthalen-1-yl-2-oxopyran-3-carbonitrile;DTXSID70479502;AT-417/43484755;4-(methylsulfanyl)-6-(1-naphthyl)-2-oxo-2H-pyran-3-carbonitrile

Chemical Property of 2H-Pyran-3-carbonitrile, 4-(methylthio)-6-(1-naphthalenyl)-2-oxo-

Chemical Property:

• Melting Point: 222-224 °C(Solv: methanol (67-56-1))
• Boiling Point: 456.5±45.0 °C(Predicted)
• PSA: 79.30000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 4.05358
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 293.05104977
• Heavy Atom Count: 21
• Complexity: 554

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=CC3=CC=CC=C32)C#N

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