thieno[2,3-b]pyridine

• ChemBase ID: 288639
• Molecular Formular: C7H5NS
• Molecular Mass: 135.1863
• Monoisotopic Mass: 135.01427017
• SMILES: s1ccc2c1nccc2
• Canonical SMILES: c1cnc2c(c1)ccs2
• InChI: InChI=1S/C7H5NS/c1-2-6-3-5-9-7(6)8-4-1/h1-5H
• InChIKey: SMZMHUCIDGHERP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 272-23-1
• MDL Number: MFCD01631145
• PubChem SID: 180674170
• PubChem CID: 289928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9986446
• LogD (pH = 7.4): 1.999055
• Log P: 1.9990603
• Molar Refractivity: 37.1938 cm^3
• Polarizability: 14.932972 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%