thieno[2,3-b]pyridin-4-ol

• ChemBase ID: 293353
• Molecular Formular: C7H5NOS
• Molecular Mass: 151.1857
• Monoisotopic Mass: 151.00918479
• SMILES: Oc1c2ccsc2ncc1
• Canonical SMILES: Oc1ccnc2c1ccs2
• InChI: InChI=1S/C7H5NOS/c9-6-1-3-8-7-5(6)2-4-10-7/h1-4H,(H,8,9)
• InChIKey: OGLNUUIOLDYMHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]pyridin-4-ol
• IUPAC Traditional name: thieno[2,3-b]pyridin-4-ol
• Synonyms: Thieno[2,3-b]pyridin-4-ol

Database IDs

• CAS Number: 65075-96-9
• PubChem SID: 180678884
• PubChem CID: 12395107

CALCULATED PROPERTIES

• Acid pKa: 10.15305
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.695434
• LogD (pH = 7.4): 1.6947421
• Log P: 1.6954949
• Molar Refractivity: 39.1747 cm^3
• Polarizability: 15.547002 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%