[4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-chlorobenzoate

Base Information

• Chemical Name: [4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-chlorobenzoate
• CAS No.: 5679-37-8
• Molecular Formula: C20H14ClNO3S2
• Molecular Weight: 415.9131
• DSSTox Substance ID: DTXSID10367338

Synonyms:5679-37-8;ST50220712;DTXSID10367338;AKOS000407789;2-Chloro-benzoic acid 4-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phe

Chemical Property of [4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-chlorobenzoate

Chemical Property:

• Vapor Pressure: 5.42E-13mmHg at 25°C
• Boiling Point: 569.7°C at 760 mmHg
• Flash Point: 298.4°C
• Density: 1.45g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 415.0103633
• Heavy Atom Count: 27
• Complexity: 643

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl)SC1=S
• Isomeric SMILES: C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl)/SC1=S

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