6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid

Base Information

• Chemical Name: 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
• CAS No.: 5258-41-3
• Molecular Formula: C16H16N2O5S2
• Molecular Weight: 380.4386
• DSSTox Substance ID: DTXSID90364406
• Wikidata: Q82148360

Synonyms:5258-41-3;6-[5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid;6-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid;AC1LTGUU;DTXSID90364406;STK795534;AKOS000536288;AB00077091-01;6-[(5Z)-5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid;15055-70-6

Chemical Property of 6-[5-(4-Nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid

Chemical Property:

• Vapor Pressure: 9.79E-14mmHg at 25°C
• Boiling Point: 567.9°Cat760mmHg
• Flash Point: 297.3°C
• Density: 1.48g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 380.05006396
• Heavy Atom Count: 25
• Complexity: 580

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O)[N+](=O)[O-]

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