methyl [(5E)-5-(3-bromo-4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate

Base Information

• Chemical Name: methyl [(5E)-5-(3-bromo-4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate
• CAS No.: 6139-64-6
• Molecular Formula: C14H12BrNO4S2
• Molecular Weight: 402.2834
• DSSTox Substance ID: DTXSID20362571
• Wikidata: Q82145759
• Mol file: 6139-64-6.mol

Synonyms:methyl [(5E)-5-(3-bromo-4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate;307538-66-5;6139-64-6;ZINC01237709;DTXSID20362571;STL331802;AKOS002270820;SR-01000228899;SR-01000228899-1

Chemical Property of methyl [(5E)-5-(3-bromo-4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate

Chemical Property:

• Vapor Pressure: 1.06E-10mmHg at 25°C
• Boiling Point: 514.6°C at 760 mmHg
• Flash Point: 265°C
• Density: 1.67g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 400.93911
• Heavy Atom Count: 22
• Complexity: 511

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)OC)Br
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)OC)Br