5-(oxolan-2-yl)thiophene-2-carbaldehyde

• ChemBase ID: 307284
• Molecular Formular: C9H10O2S
• Molecular Mass: 182.2395
• Monoisotopic Mass: 182.04015056
• SMILES: s1c(ccc1C=O)C1OCCC1
• Canonical SMILES: O=Cc1ccc(s1)C1CCCO1
• InChI: InChI=1S/C9H10O2S/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h3-4,6,8H,1-2,5H2
• InChIKey: MGOHCQMJKSEIMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(oxolan-2-yl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(oxolan-2-yl)thiophene-2-carbaldehyde
• Synonyms: 5-(tetrahydrofuran-2-yl)thiophene-2-carbaldehyde

Database IDs

• CAS Number: 915919-80-1
• MDL Number: MFCD08059922

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0724103
• LogD (pH = 7.4): 2.0724103
• Log P: 2.0724103
• Molar Refractivity: 48.0943 cm^3
• Polarizability: 18.247158 Å^3
• Polar Surface Area: 26.3 Å^2