2-{[3-(3-Chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}benzoic acid

Base Information

• Chemical Name: 2-{[3-(3-Chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}benzoic acid
• CAS No.: 5741-58-2
• Molecular Formula: C17H10ClNO3S2
• Molecular Weight: 375.8492
• DSSTox Substance ID: DTXSID80361267
• Wikidata: Q82143532

Synonyms:5741-58-2;BAS 00752285;DTXSID80361267;AKOS000636256;BIM-0030830.P001;AB00095449-01;2-{[3-(3-chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}benzoic acid

Chemical Property of 2-{[3-(3-Chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolan-5-yliden]methyl}benzoic acid

Chemical Property:

• Vapor Pressure: 2.83E-14mmHg at 25°C
• Boiling Point: 579.6°C at 760 mmHg
• Flash Point: 304.3°C
• Density: 1.6g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 374.9790632
• Heavy Atom Count: 24
• Complexity: 580

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl)C(=O)O
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl)C(=O)O

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