3-(((4-Methylphenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Base Information

• Chemical Name: 3-(((4-Methylphenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone
• CAS No.: 86650-10-4
• Molecular Formula: C20H18 N2 O S2
• Molecular Weight: 366.5
• Wikidata: Q76389096
• Mol file: 86650-10-4.mol

Synonyms:3-(((4-Methylphenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone;4-Thiazolidinone, 3-(((4-methylphenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-;86650-10-4;C20H18N2OS2;C20-H18-N2-O-S2;LS-151810

Chemical Property of 3-(((4-Methylphenyl)amino)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Chemical Property:

• Vapor Pressure: 1.5E-12mmHg at 25°C
• Melting Point: 180 °C
• Boiling Point: 559.5°C at 760 mmHg
• PKA: 2.89±0.50(Predicted)
• Flash Point: 292.2°C
• PSA: 89.73000
• Density: 1.31g/cm³
• LogP: 4.83290
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 366.08605555
• Heavy Atom Count: 25
• Complexity: 544

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NCN2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S
• Isomeric SMILES: CC1=CC=C(C=C1)NCN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S