5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile

Base Information

• Chemical Name: 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile
• CAS No.: 303146-27-2
• Molecular Formula: C12H14N2OS
• Molecular Weight: 234.32
• DSSTox Substance ID: DTXSID501207313
• ChEMBL ID: CHEMBL1382375
• Mol file: 303146-27-2.mol

Synonyms:303146-27-2;5-acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile;5-acetyl-6-methyl-2-(propylsulfanyl)pyridine-3-carbonitrile;5-acetyl-6-methyl-2-propylsulfanylpyridine-3-carbonitrile;5-acetyl-6-methyl-2-(propylthio)nicotinonitrile;MLS000540298;CHEMBL1382375;DTXSID501207313;HMS2280A16;MFCD00793173;AKOS005077935;11K-304S;SMR000125556;CS-0305228;5-Acetyl-6-methyl-2-(propylthio)-3-pyridinecarbonitrile;Z228448438

Chemical Property of 5-Acetyl-6-methyl-2-(propylsulfanyl)nicotinonitrile

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 234.08268425
• Heavy Atom Count: 16
• Complexity: 297

Purity/Quality:

5-ACETYL-6-METHYL-2-(PROPYLSULFANYL)NICOTINONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCSC1=NC(=C(C=C1C#N)C(=O)C)C