4-({[(2-Chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid

Base Information

• Chemical Name: 4-({[(2-Chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid
• CAS No.: 87998-80-9
• Molecular Formula: C16H13ClN2O4S
• Molecular Weight: 364.80300
• DSSTox Substance ID: DTXSID60361684
• Wikidata: Q82144130
• Mol file: 87998-80-9.mol

Synonyms:STK101319;4-({[(2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid;87998-80-9;DTXSID60361684;AKOS000294026;SR-01000260785;SR-01000260785-1

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

Chemical Property:

• PSA: 123.24000
• LogP: 3.84350
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 364.0284558
• Heavy Atom Count: 24
• Complexity: 469

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=CC=C(C=C2)C(=O)O)Cl