4-Chloro-3-({[(2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-({[(2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid
• CAS No.: 531543-15-4
• Molecular Formula: C16H12Cl2N2O4S
• Molecular Weight: 399.25
• DSSTox Substance ID: DTXSID50404059
• Wikidata: Q82208029
• Mol file: 531543-15-4.mol

Synonyms:STK072057;4-chloro-3-({[(2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid;531543-15-4;DTXSID50404059;AKOS000294247

Chemical Property of 4-Chloro-3-({[(2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid

Chemical Property:

• PKA: 3.82±0.10(Predicted)
• PSA: 130.28000
• Density: 1.549±0.06 g/cm3(Predicted)
• LogP: 4.64440
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 397.9894834
• Heavy Atom Count: 25
• Complexity: 509

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl