5-Acetyl-2-[(4-chlorophenyl)sulfanyl]-6-methylnicotinonitrile

Base Information

• Chemical Name: 5-Acetyl-2-[(4-chlorophenyl)sulfanyl]-6-methylnicotinonitrile
• CAS No.: 303146-64-7
• Molecular Formula: C15H11ClN2OS
• Molecular Weight: 302.8
• DSSTox Substance ID: DTXSID001169023
• Mol file: 303146-64-7.mol

Synonyms:303146-64-7;5-acetyl-2-[(4-chlorophenyl)sulfanyl]-6-methylnicotinonitrile;5-acetyl-2-[(4-chlorophenyl)sulfanyl]-6-methylpyridine-3-carbonitrile;5-acetyl-2-(4-chlorophenyl)sulfanyl-6-methylpyridine-3-carbonitrile;5-ACETYL-2-((4-CHLOROPHENYL)SULFANYL)-6-METHYLNICOTINONITRILE;DTXSID001169023;AKOS005077946;11K-369S;5-acetyl-2-(4-chlorophenylthio)-6-methylnicotinonitrile;5-Acetyl-2-[(4-chlorophenyl)thio]-6-methyl-3-pyridinecarbonitrile

Chemical Property of 5-Acetyl-2-[(4-chlorophenyl)sulfanyl]-6-methylnicotinonitrile

Chemical Property:

• PKA: -2.49±0.39(Predicted)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 302.0280618
• Heavy Atom Count: 20
• Complexity: 400

Purity/Quality:

5-Acetyl-2-[(4-chlorophenyl)sulfanyl]-6-methylnicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C(=N1)SC2=CC=C(C=C2)Cl)C#N)C(=O)C