3,5-Diiodo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 3,5-Diiodo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid
• CAS No.: 531519-69-4
• Molecular Formula: C16H11I2N3O6S
• Molecular Weight: 627.2
• DSSTox Substance ID: DTXSID90390720
• Wikidata: Q82187696
• Mol file: 531519-69-4.mol

Synonyms:DTXSID90390720;3,5-diiodo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid;AKOS000293679;531519-69-4

Chemical Property of 3,5-Diiodo-2-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 626.84580
• Heavy Atom Count: 28
• Complexity: 612

Purity/Quality:

3,5-DIIODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=C(C=C(C=C2I)I)C(=O)O