3-{3-[5-(4-Chloro-phenyl)-furan-2-carbonyl]-thioureido}-4-methyl-benzoic acid

Base Information

• Chemical Name: 3-{3-[5-(4-Chloro-phenyl)-furan-2-carbonyl]-thioureido}-4-methyl-benzoic acid
• CAS No.: 4851-46-1
• Molecular Formula: C20H15ClN2O4S
• Molecular Weight: 414.8621
• ChEMBL ID: CHEMBL1300310
• DSSTox Substance ID: DTXSID00964077
• Wikidata: Q82945992

Synonyms:4851-46-1;Oprea1_457545;MLS000807056;CHEMBL1300310;DTXSID00964077;HMS2751G18;AKOS000108819;SMR000414794;3-(3-(5-(4-chlorophenyl)furan-2-carbonyl)thioureido)-4-methylbenzoic acid;3-{3-[5-(4-Chloro-phenyl)-furan-2-carbonyl]-thioureido}-4-methyl-benzoic acid;3-{[({[5-(4-Chlorophenyl)furan-2-yl](hydroxy)methylidene}amino)(sulfanyl)methylidene]amino}-4-methylbenzoic acid

Chemical Property of 3-{3-[5-(4-Chloro-phenyl)-furan-2-carbonyl]-thioureido}-4-methyl-benzoic acid

Chemical Property:

• Density: 1.443g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 414.0441058
• Heavy Atom Count: 28
• Complexity: 597

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl

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