1-(5-chlorothiophen-2-yl)ethan-1-ol

• ChemBase ID: 257242
• Molecular Formular: C6H7ClOS
• Molecular Mass: 162.63718
• Monoisotopic Mass: 161.99061352
• SMILES: s1c(ccc1Cl)C(O)C
• Canonical SMILES: CC(c1ccc(s1)Cl)O
• InChI: InChI=1S/C6H7ClOS/c1-4(8)5-2-3-6(7)9-5/h2-4,8H,1H3
• InChIKey: WPAVSEJRMIJWQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-chlorothiophen-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(5-chlorothiophen-2-yl)ethanol
• Synonyms: 1-(5-chlorothien-2-yl)ethanol

Database IDs

• MDL Number: MFCD08443469
• PubChem SID: 164313152
• PubChem CID: 15361441

CALCULATED PROPERTIES

• Acid pKa: 14.144645
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.305393
• LogD (pH = 7.4): 2.305393
• Log P: 2.305393
• Molar Refractivity: 38.1473 cm^3
• Polarizability: 15.263149 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.814

Product Information

• Purity: 95%