3-[(3-Chloro-4-ethoxybenzoyl)carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 3-[(3-Chloro-4-ethoxybenzoyl)carbamothioylamino]benzoic acid
• CAS No.: 433691-61-3
• Molecular Formula: C17H15ClN2O4S
• Molecular Weight: 378.83
• DSSTox Substance ID: DTXSID80367820
• Wikidata: Q82153922
• Mol file: 433691-61-3.mol

Synonyms:433691-61-3;STK109515;3-({[(3-chloro-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid;3-[[[(3-CHLORO-4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID;3-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]benzoic acid;Oprea1_355511;DTXSID80367820;AKOS000109085;3-({[(3-chloro-4-ethoxybenzoyl)amino]carbonothioyl}amino)benzoic acid

Chemical Property of 3-[(3-Chloro-4-ethoxybenzoyl)carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 4.35900
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 378.0441058
• Heavy Atom Count: 25
• Complexity: 505

Purity/Quality:

3-(([(3-CHLORO-4-ETHOXYPHENYL)CARBONYL]CARBAMOTHIOYL)AMINO)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)Cl