5-[(3-Bromo-4-methoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid

Base Information

• Chemical Name: 5-[(3-Bromo-4-methoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid
• CAS No.: 434307-81-0
• Molecular Formula: C16H12BrClN2O4S
• Molecular Weight: 443.7
• DSSTox Substance ID: DTXSID30361732
• Wikidata: Q82144205
• Mol file: 434307-81-0.mol

Synonyms:434307-81-0;5-({[(3-bromo-4-methoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid;DTXSID30361732;5-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-2-chlorobenzoic acid;STK095989;AKOS000109065;5-({[(3-bromo-4-methoxybenzoyl)amino]carbonothioyl}amino)-2-chlorobenzoic acid

Chemical Property of 5-[(3-Bromo-4-methoxybenzoyl)carbamothioylamino]-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-[[[(3-BROMO-4-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)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Br