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

Base Information

• Chemical Name: 3,5-Dibromo-2-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
• CAS No.: 531548-30-8
• Molecular Formula: C17H14Br2N2O4S
• Molecular Weight: 502.18
• DSSTox Substance ID: DTXSID60390893
• Wikidata: Q82188012
• Mol file: 531548-30-8.mol

Synonyms:DTXSID60390893;3,5-dibromo-2-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid;AKOS000293559;531548-30-8

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

Chemical Property:

• PSA: 130.28000
• LogP: 5.17100
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 501.90205
• Heavy Atom Count: 26
• Complexity: 537

Purity/Quality:

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

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2Br)Br)C(=O)O

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