1-Ethyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile

Base Information

• Chemical Name: 1-Ethyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile
• CAS No.: 7063-60-7
• Molecular Formula: C13H18 Cl N O . Cl H
• Molecular Weight: 501.7077
• DSSTox Substance ID: DTXSID30414353
• Mol file: 7063-60-7.mol

Synonyms:7063-60-7;AC1NRC3R;DTXSID30414353

Chemical Property of 1-Ethyl-5-[(3-heptyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-6-(4-methylpiperazin-1-yl)-2-oxopyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 1.86E-10mmHg at 25°C
• Boiling Point: 508.4°Cat760mmHg
• Flash Point: 261.3°C
• Density: 1.27g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 501.22321772
• Heavy Atom Count: 34
• Complexity: 983

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CC)N3CCN(CC3)C)SC1=S