cyclopentyl(thiophen-2-yl)methanone

• ChemBase ID: 257615
• Molecular Formular: C10H12OS
• Molecular Mass: 180.26668
• Monoisotopic Mass: 180.060886
• SMILES: c1(C(=O)C2CCCC2)sccc1
• Canonical SMILES: O=C(c1cccs1)C1CCCC1
• InChI: InChI=1S/C10H12OS/c11-10(8-4-1-2-5-8)9-6-3-7-12-9/h3,6-8H,1-2,4-5H2
• InChIKey: ZLEDQHMUUGXXTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(thiophen-2-yl)methanone
• IUPAC Traditional name: cyclopentyl(thiophen-2-yl)methanone
• Synonyms: cyclopentyl(thien-2-yl)methanone

Database IDs

• MDL Number: MFCD09891340
• PubChem SID: 164313525
• PubChem CID: 10219686

CALCULATED PROPERTIES

• Acid pKa: 16.98392
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1127083
• LogD (pH = 7.4): 3.1127083
• Log P: 3.1127083
• Molar Refractivity: 49.9519 cm^3
• Polarizability: 19.367056 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.83

Product Information

• Purity: 95%