4-Chloro-3-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid
• CAS No.: 531541-86-3
• Molecular Formula: C19H19ClN2O4S
• Molecular Weight: 406.88
• DSSTox Substance ID: DTXSID80403792
• Wikidata: Q82207597
• Mol file: 531541-86-3.mol

Synonyms:4-chloro-3-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid;531541-86-3;DTXSID80403792;AKOS000293994

Chemical Property of 4-Chloro-3-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 406.0754060
• Heavy Atom Count: 27
• Complexity: 538

Purity/Quality:

4-CHLORO-3-[[[[4-(2-METHYLPROPOXY)BENZOYL]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: CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl