5-(Benzoylcarbamothioylamino)-2-chlorobenzoic acid

Base Information

• Chemical Name: 5-(Benzoylcarbamothioylamino)-2-chlorobenzoic acid
• CAS No.: 535938-48-8
• Molecular Formula: C15H11ClN2O3S
• Molecular Weight: 334.78
• DSSTox Substance ID: DTXSID50359353
• Wikidata: Q82140534
• Mol file: 535938-48-8.mol

Synonyms:5-(benzoylcarbamothioylamino)-2-chlorobenzoic acid;535938-48-8;DTXSID50359353;STK025686;AKOS000102477;2-chloro-5-{[(phenylcarbonyl)carbamothioyl]amino}benzoic acid

Chemical Property of 5-(Benzoylcarbamothioylamino)-2-chlorobenzoic acid

Chemical Property:

• PSA: 121.05000
• LogP: 3.96030
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 334.0178911
• Heavy Atom Count: 22
• Complexity: 441

Purity/Quality:

5-[[(BENZOYLAMINO)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: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O