5-({[(5-Bromo-2-methoxybenzoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid

Base Information

• Chemical Name: 5-({[(5-Bromo-2-methoxybenzoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid
• CAS No.: 434310-32-4
• Molecular Formula: C16H12BrClN2O4S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70361736
• Wikidata: Q82144211
• ChEMBL ID: CHEMBL1558818
• Mol file: 434310-32-4.mol

Synonyms:STK029555;5-({[(5-bromo-2-methoxybenzoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid;434310-32-4;MLS000676443;CHEMBL1558818;DTXSID70361736;REGID_for_CID_1328533;HMS2657G14;AKOS000108736;SMR000298983;5-({[(5-bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid

Chemical Property of 5-({[(5-Bromo-2-methoxybenzoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 4.73140
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 441.93897
• Heavy Atom Count: 25
• Complexity: 524

Purity/Quality:

5-[[[(5-BROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O