4-Chloro-3-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid
• CAS No.: 532386-11-1
• Molecular Formula: C15H9ClI2N2O3S
• Molecular Weight: 586.57
• DSSTox Substance ID: DTXSID80403797
• Wikidata: Q82207605
• Mol file: 532386-11-1.mol

Synonyms:4-chloro-3-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid;532386-11-1;DTXSID80403797;AKOS000294003

Chemical Property of 4-Chloro-3-[(2,5-diiodobenzoyl)carbamothioylamino]benzoic acid

Chemical Property:

• PKA: 3.82±0.10(Predicted)
• PSA: 121.05000
• Density: 2.194±0.06 g/cm3(Predicted)
• LogP: 5.16950
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 585.81119
• Heavy Atom Count: 24
• Complexity: 511

Purity/Quality:

4-CHLORO-3-[[[(2,5-DIIODOBENZOYL)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: C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)I)I)Cl