thieno[3,2-b]pyridin-6-ol

• ChemBase ID: 287945
• Molecular Formular: C7H5NOS
• Molecular Mass: 151.1857
• Monoisotopic Mass: 151.00918479
• SMILES: Oc1cnc2ccsc2c1
• Canonical SMILES: Oc1cnc2c(c1)scc2
• InChI: InChI=1S/C7H5NOS/c9-5-3-7-6(8-4-5)1-2-10-7/h1-4,9H
• InChIKey: ZVIDGVLPNKUNTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-b]pyridin-6-ol
• IUPAC Traditional name: thieno[3,2-b]pyridin-6-ol
• Synonyms: Thieno[3,2-b]pyridin-6-ol

Database IDs

• CAS Number: 115063-93-9
• PubChem SID: 180673476
• PubChem CID: 20148567

CALCULATED PROPERTIES

• Acid pKa: 9.20039
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.711154
• LogD (pH = 7.4): 1.7071512
• Log P: 1.7138832
• Molar Refractivity: 38.8501 cm^3
• Polarizability: 16.20084 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%