2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid

Base Information

• Chemical Name: 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid
• CAS No.: 533922-53-1
• Molecular Formula: C18H17IN2O4S
• Molecular Weight: 484.31
• DSSTox Substance ID: DTXSID00409276
• Wikidata: Q82215035
• Mol file: 533922-53-1.mol

Synonyms:2-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid;DTXSID00409276;AKOS000293307;533922-53-1

Chemical Property of 2-[[2-(3,5-Dimethylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 4.55900
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 483.99538
• Heavy Atom Count: 26
• Complexity: 523

Purity/Quality:

2-[[[[(3,5-DIMETHYLPHENOXY)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: CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)C