5-Acetyl-6-methyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile

Base Information

• Chemical Name: 5-Acetyl-6-methyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile
• CAS No.: 303146-29-4
• Molecular Formula: C12H10N2OS
• Molecular Weight: 230.29
• DSSTox Substance ID: DTXSID001177559
• Mol file: 303146-29-4.mol

Synonyms:303146-29-4;5-acetyl-6-methyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile;5-acetyl-6-methyl-2-(2-propynylsulfanyl)nicotinonitrile;5-acetyl-6-methyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile;DTXSID001177559;MFCD00793175;STL115854;AKOS001146027;11K-307S;5-acetyl-6-methyl-2-(prop-2-ynylthio)nicotinonitrile;Z57075740;5-Acetyl-6-methyl-2-(2-propyn-1-ylthio)-3-pyridinecarbonitrile

Chemical Property of 5-Acetyl-6-methyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile

Chemical Property:

• PKA: -2.21±0.39(Predicted)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 230.05138412
• Heavy Atom Count: 16
• Complexity: 362

Purity/Quality:

5-Acetyl-6-methyl-2-(2-propynylsulfanyl)nicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C(=N1)SCC#C)C#N)C(=O)C