thieno[3,2-b]pyridine-6-carbaldehyde

• ChemBase ID: 275174
• Molecular Formular: C8H5NOS
• Molecular Mass: 163.1964
• Monoisotopic Mass: 163.00918479
• SMILES: n1c2c(scc2)cc(c1)C=O
• Canonical SMILES: O=Cc1cnc2c(c1)scc2
• InChI: InChI=1S/C8H5NOS/c10-5-6-3-8-7(9-4-6)1-2-11-8/h1-5H
• InChIKey: AYYSYOMUORYGOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-b]pyridine-6-carbaldehyde
• IUPAC Traditional name: thieno[3,2-b]pyridine-6-carbaldehyde
• Synonyms: thieno[3,2-b]pyridine-6-carbaldehyde

Database IDs

• MDL Number: MFCD18802972
• PubChem SID: 164331084
• PubChem CID: 14025919

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7297456
• LogD (pH = 7.4): 1.7299483
• Log P: 1.7299509
• Molar Refractivity: 43.4532 cm^3
• Polarizability: 17.49381 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.955

Product Information

• Purity: 95%