(5-chlorothiophen-2-yl)(cyclobutyl)methanone

• ChemBase ID: 120934
• Molecular Formular: C9H9ClOS
• Molecular Mass: 200.68516
• Monoisotopic Mass: 200.00626359
• SMILES: c1(sc(cc1)Cl)C(=O)C1CCC1
• Canonical SMILES: O=C(c1ccc(s1)Cl)C1CCC1
• InChI: InChI=1S/C9H9ClOS/c10-8-5-4-7(12-8)9(11)6-2-1-3-6/h4-6H,1-3H2
• InChIKey: QFGINQSECJLBIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chlorothiophen-2-yl)(cyclobutyl)methanone
• IUPAC Traditional name: (5-chlorothiophen-2-yl)(cyclobutyl)methanone
• Synonyms: (5-chlorothiophen-2-yl)(cyclobutyl)methanone

Database IDs

• PubChem SID: 162215287
• PubChem CID: 43161046

CALCULATED PROPERTIES

• Log P: 3.4381802
• Molar Refractivity: 49.3156 cm^3
• Polarizability: 19.495676 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 16.883694
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4381802
• LogD (pH = 7.4): 3.4381802