2-Chloro-5-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Base Information

• Chemical Name: 2-Chloro-5-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid
• CAS No.: 434308-32-4
• Molecular Formula: C16H13ClN2O3S
• Molecular Weight: 348.8
• DSSTox Substance ID: DTXSID00355486
• Wikidata: Q82134421
• Mol file: 434308-32-4.mol

Synonyms:STK091350;DTXSID00355486;AKOS000102932;434308-32-4;2-chloro-5-({[(4-methylbenzoyl)amino]carbonothioyl}amino)benzoic acid;2-chloro-5-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Chemical Property of 2-Chloro-5-({[(4-methylphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Chemical Property:

• PSA: 121.05000
• LogP: 4.26870
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 348.0335411
• Heavy Atom Count: 23
• Complexity: 466

Purity/Quality:

2-CHLORO-5-[[[(4-METHYLBENZOYL)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: CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O