2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
• CAS No.: 5855-16-3
• Molecular Formula: C17H13NO3S3
• Molecular Weight: 375.485
• DSSTox Substance ID: DTXSID30417187
• ChEMBL ID: CHEMBL1442448

Synonyms:2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid;5855-16-3;BAS 01258928;MLS000713381;CHEMBL1442448;DTXSID30417187;HMS2644B24;STK993965;AKOS000531472;AKOS016276049;2-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-3-phenyl-propionic;SMR000272862;BIM-0035204.P001

Chemical Property of 2-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 5.09E-14mmHg at 25°C
• Boiling Point: 574.1°Cat760mmHg
• Flash Point: 301°C
• Density: 1.52g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 375.00575680
• Heavy Atom Count: 24
• Complexity: 557

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC3=CC=CS3)SC2=S
• Isomeric SMILES: C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)/C(=C/C3=CC=CS3)/SC2=S

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