5-(cyclohexylsulfanyl)furan-2-carbaldehyde

• ChemBase ID: 312075
• Molecular Formular: C11H14O2S
• Molecular Mass: 210.29266
• Monoisotopic Mass: 210.07145069
• SMILES: c1(oc(cc1)C=O)SC1CCCCC1
• Canonical SMILES: O=Cc1ccc(o1)SC1CCCCC1
• InChI: InChI=1S/C11H14O2S/c12-8-9-6-7-11(13-9)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2
• InChIKey: UPSFITCCHUIYLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(cyclohexylsulfanyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(cyclohexylsulfanyl)furan-2-carbaldehyde
• Synonyms: 5-(cyclohexylthio)-2-furaldehyde

Database IDs

• CAS Number: 915920-91-1
• MDL Number: MFCD08691800

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0552175
• LogD (pH = 7.4): 3.0552175
• Log P: 3.0552175
• Molar Refractivity: 58.1577 cm^3
• Polarizability: 22.48262 Å^3
• Polar Surface Area: 30.21 Å^2