6-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride

• ChemBase ID: 56495
• Molecular Formular: C14H6Cl3NOS
• Molecular Mass: 342.62754
• Monoisotopic Mass: 340.92356786
• SMILES: c1(c2c(nc(c3sc(cc3)Cl)c1)ccc(c2)Cl)C(=O)Cl
• Canonical SMILES: Clc1ccc(s1)c1nc2ccc(cc2c(c1)C(=O)Cl)Cl
• InChI: InChI=1S/C14H6Cl3NOS/c15-7-1-2-10-8(5-7)9(14(17)19)6-11(18-10)12-3-4-13(16)20-12/h1-6H
• InChIKey: PTQHWHIDSJWFCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
• IUPAC Traditional name: 6-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
• Synonyms: 6-Chloro-2-(5-chloro-2-thienyl)quinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03421280
• PubChem SID: 162061258
• PubChem CID: 46779399

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.506122
• LogD (pH = 7.4): 5.506122
• Log P: 5.506122
• Molar Refractivity: 81.5176 cm^3
• Polarizability: 34.101627 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false