3,5-Dichloro-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 3,5-Dichloro-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
• CAS No.: 533921-27-6
• Molecular Formula: C17H14Cl2N2O4S
• Molecular Weight: 413.28
• DSSTox Substance ID: DTXSID10391092
• Wikidata: Q82188321
• Mol file: 533921-27-6.mol

Synonyms:DTXSID10391092;3,5-dichloro-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid;AKOS000293902;533921-27-6

Chemical Property of 3,5-Dichloro-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 4.95280
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 412.0051335
• Heavy Atom Count: 26
• Complexity: 537

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O