5-Ethoxymethylene-2-thioxo-3-(O-tolyl)-4-thiazolidinone

Base Information

• Chemical Name: 5-Ethoxymethylene-2-thioxo-3-(O-tolyl)-4-thiazolidinone
• CAS No.: 53514-43-5
• Molecular Formula: C₁₃H₁₃NO₂S₂
• Molecular Weight: 279.384
• Hs Code.: 2934999090
• European Community (EC) Number: 653-856-8
• NSC Number: 159044
• DSSTox Substance ID: DTXSID70369671
• Nikkaji Number: J308.207E
• Wikidata: Q76145985
• Mol file: 53514-43-5.mol

Synonyms:NSC159044;53514-43-5;5-Ethoxymethylene-2-thioxo-3-(O-tolyl)-4-thiazolidinone;DTXSID70369671;AKOS024333847;NSC-159044;Rhodanine, 5-(ethoxymethylene)-3-o-tolyl-;5-Ethoxymethylene-2-thioxo-3-o-tolyl-4-thiazolidinone;5-Ethoxymethylene-2-thioxo-3-(o-tolyl-4-thiazolidinone;(5Z)-5-(ethoxymethylene)-3-(2-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one

Chemical Property of 5-Ethoxymethylene-2-thioxo-3-(O-tolyl)-4-thiazolidinone

Chemical Property:

• Vapor Pressure: 3.67E-06mmHg at 25°C
• Boiling Point: 385.9°C at 760 mmHg
• PKA: -0.75±0.20(Predicted)
• Flash Point: 187.2°C
• PSA: 86.93000
• Density: 1.34g/cm³
• LogP: 3.30260
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 279.03877100
• Heavy Atom Count: 18
• Complexity: 381

Purity/Quality:

99%min ^*data from raw suppliers

5-ETHOXYMETHYLENE-2-THIOXO-3-(ORTHO-TOLYL)-4-THIAZOLIDINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC=C1C(=O)N(C(=S)S1)C2=CC=CC=C2C
• Isomeric SMILES: CCO/C=C\1/C(=O)N(C(=S)S1)C2=CC=CC=C2C