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

Base Information

• Chemical Name: 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid
• CAS No.: 535976-72-8
• Molecular Formula: C15H9Cl2FN2O3S
• Molecular Weight: 387.21
• DSSTox Substance ID: DTXSID40391020
• Wikidata: Q82188209
• Mol file: 535976-72-8.mol

Synonyms:535976-72-8;3,5-Dichloro-2-{[(2-Fluorobenzoyl)Carbamothioyl]Amino}Benzoic Acid;DTXSID40391020;3,5-dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid;AKOS000293861

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

Chemical Property:

• PSA: 121.05000
• LogP: 4.75280
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 385.9694969
• Heavy Atom Count: 24
• Complexity: 511

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O)F