Ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate
• CAS No.: 7065-06-7
• Molecular Formula: CH Cl O2 . H3 N
• Molecular Weight: 574.7551
• DSSTox Substance ID: DTXSID70414534

Synonyms:7065-06-7;AC1NRH29;DTXSID70414534

Chemical Property of Ethyl 1-[1-butyl-5-cyano-3-[[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-oxopyridin-2-yl]piperidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 4.82E-13mmHg at 25°C
• Boiling Point: 570.9°Cat760mmHg
• Flash Point: 299.1°C
• Density: 1.29g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 574.22836267
• Heavy Atom Count: 39
• Complexity: 1130

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCOCC)N3CCC(CC3)C(=O)OCC

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