2-{thieno[3,2-b]pyridin-6-yl}ethan-1-ol

• ChemBase ID: 275179
• Molecular Formular: C9H9NOS
• Molecular Mass: 179.23886
• Monoisotopic Mass: 179.04048491
• SMILES: n1c2c(scc2)cc(c1)CCO
• Canonical SMILES: OCCc1cnc2c(c1)scc2
• InChI: InChI=1S/C9H9NOS/c11-3-1-7-5-9-8(10-6-7)2-4-12-9/h2,4-6,11H,1,3H2
• InChIKey: WIPWPDSYWVLEEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{thieno[3,2-b]pyridin-6-yl}ethan-1-ol
• IUPAC Traditional name: 2-{thieno[3,2-b]pyridin-6-yl}ethanol
• Synonyms: 2-{thieno[3,2-b]pyridin-6-yl}ethan-1-ol

Database IDs

• MDL Number: MFCD18839104
• PubChem SID: 164331089
• PubChem CID: 54593557

CALCULATED PROPERTIES

• Acid pKa: 15.782645
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5327094
• LogD (pH = 7.4): 1.5386832
• Log P: 1.53876
• Molar Refractivity: 48.4401 cm^3
• Polarizability: 19.818977 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.222

Product Information

• Purity: 95%