1-(thiophen-2-yl)ethan-1-ol

• ChemBase ID: 266324
• Molecular Formular: C6H8OS
• Molecular Mass: 128.19212
• Monoisotopic Mass: 128.02958588
• SMILES: c1(sccc1)C(O)C
• Canonical SMILES: CC(c1cccs1)O
• InChI: InChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3
• InChIKey: WUNFIVTVJXZDDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(thiophen-2-yl)ethanol
• Synonyms: 1-(thiophen-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD09836745
• PubChem SID: 164322234
• PubChem CID: 102782

CALCULATED PROPERTIES

• Acid pKa: 14.349968
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5353525
• LogD (pH = 7.4): 1.5353523
• Log P: 1.5353525
• Molar Refractivity: 34.1826 cm^3
• Polarizability: 13.285776 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.059

Product Information

• Purity: 95%