Benzenecarbothioic acid, S-(2-phenyl-3-quinolinyl) ester

Base Information

• Chemical Name: Benzenecarbothioic acid, S-(2-phenyl-3-quinolinyl) ester
• CAS No.: 646450-27-3
• Molecular Formula: C22H15NOS
• Molecular Weight: 341.42600
• DSSTox Substance ID: DTXSID20400088
• Wikidata: Q82202918

Synonyms:646450-27-3;S-(2-Phenylquinolin-3-yl) benzothioate;Benzenecarbothioic acid, S-(2-phenyl-3-quinolinyl) ester;DTXSID20400088;AKOS024344151;S-(2-PHENYL-3-QUINOLINYL) BENZENECARBOTHIOATE

Chemical Property of Benzenecarbothioic acid, S-(2-phenyl-3-quinolinyl) ester

Chemical Property:

• PSA: 55.26000
• LogP: 5.83430
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 341.08743528
• Heavy Atom Count: 25
• Complexity: 441

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2SC(=O)C4=CC=CC=C4

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