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

• ChemBase ID: 91185
• Molecular Formular: C8H5NOS
• Molecular Mass: 163.1964
• Monoisotopic Mass: 163.00918479
• SMILES: s1c2c(cccn2)cc1C=O
• Canonical SMILES: O=Cc1cc2c(s1)nccc2
• InChI: InChI=1S/C8H5NOS/c10-5-7-4-6-2-1-3-9-8(6)11-7/h1-5H
• InChIKey: HGZQKYOLRLVMHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]pyridine-2-carbaldehyde
• IUPAC Traditional name: thieno[2,3-b]pyridine-2-carbaldehyde
• Synonyms: thieno[2,3-b]pyridine-2-carbaldehyde; 2-Formylthieno[2,3-b]pyridine; Thieno[2,3-b]pyridine-2-carboxaldehyde 97+%

Database IDs

• CAS Number: 53174-98-4
• MDL Number: MFCD07772791
• PubChem SID: 162077889
• PubChem CID: 289925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8439255
• LogD (pH = 7.4): 1.844001
• Log P: 1.844002
• Molar Refractivity: 43.5619 cm^3
• Polarizability: 16.847277 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141.5-143°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 97%