4-Chloro-3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
• CAS No.: 532430-00-5
• Molecular Formula: C16H11Cl3N2O4S
• Molecular Weight: 433.69
• DSSTox Substance ID: DTXSID90403809
• Wikidata: Q82207626
• Mol file: 532430-00-5.mol

Synonyms:532430-00-5;4-chloro-3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid;DTXSID90403809;AKOS000294195;4-Chloro-3-[[[[(2,4-dichlorophenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid

Chemical Property of 4-Chloro-3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 5.29780
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 431.950511
• Heavy Atom Count: 26
• Complexity: 540

Purity/Quality:

4-CHLORO-3-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)Cl