2-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid

Base Information

• Chemical Name: 2-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
• CAS No.: 535955-51-2
• Molecular Formula: C16H11Cl2IN2O4S
• Molecular Weight: 525.15
• DSSTox Substance ID: DTXSID20409278
• Wikidata: Q82215038
• Mol file: 535955-51-2.mol

Synonyms:2-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid;535955-51-2;DTXSID20409278;AKOS000293696

Chemical Property of 2-[[2-(2,4-Dichlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid

Chemical Property:

• PKA: 3.10±0.36(Predicted)
• PSA: 130.28000
• Density: 1.877±0.06 g/cm3(Predicted)
• LogP: 5.24900
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 523.88613
• Heavy Atom Count: 26
• Complexity: 542

Purity/Quality:

2-[[[[(2,4-DICHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-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=C1Cl)Cl)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O