(4-Oxo-thiazolidin-2-ylidene)acetic acid ethyl ester

Base Information

• Chemical Name: (4-Oxo-thiazolidin-2-ylidene)acetic acid ethyl ester
• CAS No.: 24146-36-9
• Molecular Formula: C7H9 N O3 S
• Molecular Weight: 187.219
• Hs Code.: 2934999090
• NSC Number: 153304
• ChEMBL ID: CHEMBL2138414
• Mol file: 24146-36-9.mol

Synonyms:(4-oxo-thiazolidin-2-ylidene)acetic acid ethyl ester;ethyl (2E)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate;MLS000054379;CHEMBL2138414;HMS1527I05;HMS2188G23;.DELTA.2, 4-oxo-, ethyl ester;CCG-48299;NSC153304;AKOS000313271;NSC-153304;NCGC00037244-02;SMR000066127;SR-01000618608-2

Chemical Property of (4-Oxo-thiazolidin-2-ylidene)acetic acid ethyl ester

Chemical Property:

• Vapor Pressure: 3.64E-07mmHg at 25°C
• Boiling Point: 417.1°Cat760mmHg
• PKA: 10.52±0.20(Predicted)
• Flash Point: 206°C
• PSA: 80.70000
• Density: 1.392g/cm³
• LogP: 0.58270
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 237

Purity/Quality:

99%min ^*data from raw suppliers

ethyl(2E)-(4-oxo-1,3-thiazolidin-2-ylidene)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C1NC(=O)CS1
• Isomeric SMILES: CCOC(=O)/C=C/1\NC(=O)CS1