3,5-Dibromo-2-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 3,5-Dibromo-2-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid
• CAS No.: 586393-52-4
• Molecular Formula: C15H9Br2FN2O3S
• Molecular Weight: 476.11
• DSSTox Substance ID: DTXSID70390849
• Wikidata: Q82187920
• Mol file: 586393-52-4.mol

Synonyms:586393-52-4;3,5-Dibromo-2-{[(4-Fluorobenzoyl)Carbamothioyl]Amino}Benzoic Acid;DTXSID70390849;3,5-dibromo-2-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid;AKOS000293521

Chemical Property of 3,5-Dibromo-2-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 121.05000
• LogP: 4.97100
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 475.86642
• Heavy Atom Count: 24
• Complexity: 503

Purity/Quality:

3,5-DIBROMO-2-[[[(4-FLUOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O)F

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