5-(thiophen-2-yl)furan-2-carbaldehyde

• ChemBase ID: 101354
• Molecular Formular: C9H6O2S
• Molecular Mass: 178.20774
• Monoisotopic Mass: 178.00885043
• SMILES: c1(oc(cc1)C=O)c1sccc1
• Canonical SMILES: O=Cc1ccc(o1)c1cccs1
• InChI: InChI=1S/C9H6O2S/c10-6-7-3-4-8(11-7)9-2-1-5-12-9/h1-6H
• InChIKey: GFBGORCZLXISGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(thiophen-2-yl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(thiophen-2-yl)furan-2-carbaldehyde
• Synonyms: 5-thien-2-yl-2-furaldehyde

Database IDs

• CAS Number: 32364-30-0
• MDL Number: MFCD06740283
• PubChem SID: 162087066
• PubChem CID: 5098310

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0903692
• LogD (pH = 7.4): 2.0903692
• Log P: 2.0903692
• Molar Refractivity: 46.9365 cm^3
• Polarizability: 18.712126 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%