4-Chloro-3-{[(naphthalen-2-ylcarbonyl)carbamothioyl]amino}benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-{[(naphthalen-2-ylcarbonyl)carbamothioyl]amino}benzoic acid
• CAS No.: 532415-85-3
• Molecular Formula: C19H13ClN2O3S
• Molecular Weight: 384.84
• DSSTox Substance ID: DTXSID60361700
• Wikidata: Q82144157
• Mol file: 532415-85-3.mol

Synonyms:STK108663;532415-85-3;DTXSID60361700;AKOS000294009;4-chloro-3-{[(2-naphthoylamino)carbonothioyl]amino}benzoic acid;4-chloro-3-{[(naphthalen-2-ylcarbonyl)carbamothioyl]amino}benzoic acid

Chemical Property of 4-Chloro-3-{[(naphthalen-2-ylcarbonyl)carbamothioyl]amino}benzoic acid

Chemical Property:

• PSA: 121.05000
• LogP: 5.11350
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 384.0335411
• Heavy Atom Count: 26
• Complexity: 559

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)O)Cl