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

Base Information

• Chemical Name: 5-[[3-(1,3-Benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-(4-benzylpiperazin-1-yl)-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
• CAS No.: 7064-28-0
• Molecular Formula: C13H24 N O2 . I
• Molecular Weight: 627.7762
• DSSTox Substance ID: DTXSID10414437

Synonyms:7064-28-0;AC1NRECI;DTXSID10414437

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

Chemical Property:

• Vapor Pressure: 1.86E-16mmHg at 25°C
• Boiling Point: 643.6°Cat760mmHg
• Flash Point: 343°C
• Density: 1.43g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 627.19739690
• Heavy Atom Count: 44
• Complexity: 1300

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC4=C(C=C3)OCO4)N5CCN(CC5)CC6=CC=CC=C6

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