2-{[1-(3,4-Dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio}benzoic acid

Base Information

• Chemical Name: 2-{[1-(3,4-Dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio}benzoic acid
• CAS No.: 6629-32-9
• Molecular Formula: C19H17NO4S
• Molecular Weight: 355.4076
• DSSTox Substance ID: DTXSID30387735
• ChEMBL ID: CHEMBL1529214

Synonyms:6629-32-9;2-{[1-(3,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio}benzoic acid;ST50324193;Oprea1_451786;MLS000676536;CHEMBL1529214;DTXSID30387735;HMS2652I08;STK989240;AKOS002311342;AKOS016274312;SMR000298615;SR-01000239341;SR-01000239341-1;2-{[1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

Chemical Property of 2-{[1-(3,4-Dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio}benzoic acid

Chemical Property:

• Vapor Pressure: 2.01E-18mmHg at 25°C
• Boiling Point: 661.9°Cat760mmHg
• Flash Point: 354.1°C
• Density: 1.4g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 355.08782920
• Heavy Atom Count: 25
• Complexity: 552

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C

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