6-(Azepan-1-yl)-5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

Base Information

• Chemical Name: 6-(Azepan-1-yl)-5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
• CAS No.: 7064-55-3
• Molecular Formula: C25H22 Cl N3 O3
• Molecular Weight: 500.7196
• DSSTox Substance ID: DTXSID80414464

Synonyms:7064-55-3;AC1NRFAT;DTXSID80414464

Chemical Property of 6-(Azepan-1-yl)-5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 1.09E-10mmHg at 25°C
• Boiling Point: 514.3°Cat760mmHg
• Flash Point: 264.8°C
• Density: 1.24g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 500.22796875
• Heavy Atom Count: 34
• Complexity: 965

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CCC)N3CCCCCC3)SC1=S

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