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

Base Information

• Chemical Name: 4-Chloro-3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
• CAS No.: 536977-92-1
• Molecular Formula: C17H15ClN2O4S
• Molecular Weight: 378.83
• DSSTox Substance ID: DTXSID10403801
• Wikidata: Q82207612
• Mol file: 536977-92-1.mol

Synonyms:4-chloro-3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid;536977-92-1;DTXSID10403801;AKOS000109455

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

Chemical Property:

• PSA: 130.28000
• LogP: 4.29940
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 378.0441058
• Heavy Atom Count: 25
• Complexity: 505

Purity/Quality:

4-CHLORO-3-[[[[(2-METHYLPHENOXY)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: CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl