3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester

Base Information

• Chemical Name: 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester
• CAS No.: 67952-25-4
• Molecular Formula: C₅H₅NO₃S₂
• Molecular Weight: 191.232
• European Community (EC) Number: 267-879-2
• DSSTox Substance ID: DTXSID2070895
• Nikkaji Number: J317.272D
• Wikidata: Q81998337

Synonyms:N-Methoxycarbonylrhodanine;3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester;67952-25-4;EINECS 267-879-2;Methyl 4-oxo-2-thioxothiazolidine-3-carboxylate;SCHEMBL5484818;DTXSID2070895;4-Oxo-2-thioxo-3-thiazolidinecarboxylic acid methyl ester

Chemical Property of 3-Thiazolidinecarboxylic acid, 4-oxo-2-thioxo-, methyl ester

Chemical Property:

• Vapor Pressure: 0.00725mmHg at 25°C
• Boiling Point: 269.4°Cat760mmHg
• Flash Point: 116.7°C
• PSA: 104.00000
• Density: 1.6g/cm³
• LogP: 0.55100
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 190.97108537
• Heavy Atom Count: 11
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)N1C(=O)CSC1=S

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