3-(1,3-benzoxazol-2-ylthio)-6-chloro-4-phenylquinolin-2(1H)-one

Base Information

• Chemical Name: 3-(1,3-benzoxazol-2-ylthio)-6-chloro-4-phenylquinolin-2(1H)-one
• CAS No.: 4507-19-1
• Molecular Formula: C22H13ClN2O2S
• Molecular Weight: 404.8688
• DSSTox Substance ID: DTXSID90963332
• Wikidata: Q82945176

Synonyms:3-(1,3-benzoxazol-2-ylthio)-6-chloro-4-phenylquinolin-2(1H)-one;3-(1,3-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4507-19-1;HMS597M05;ChemDiv1_003789;Oprea1_519030;Oprea1_861741;DTXSID90963332;FYZKOFQLZWDADE-UHFFFAOYSA-N;STK036918;STL170824;AKOS000508417;AKOS002528146;AK-968/12163440;SR-01000433048;SR-01000433048-1;3-(1,3-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenylquinolin-2-ol;3-[(1,3-Benzoxazol-2-yl)sulfanyl]-6-chloro-4-phenylquinolin-2-ol;3-(1,3-benzoxazol-2-ylsulfanyl)-6-chloro-4-phenylquinolin-2(1H)-one

Chemical Property of 3-(1,3-benzoxazol-2-ylthio)-6-chloro-4-phenylquinolin-2(1H)-one

Chemical Property:

• Vapor Pressure: 1.23E-16mmHg at 25°C
• Boiling Point: 633.4°Cat760mmHg
• Flash Point: 336.9°C
• Density: 1.49g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 404.0386265
• Heavy Atom Count: 28
• Complexity: 636

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)SC4=NC5=CC=CC=C5O4

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