thieno[2,3-b]pyridin-2-ylmethanol

• ChemBase ID: 91193
• Molecular Formular: C8H7NOS
• Molecular Mass: 165.21228
• Monoisotopic Mass: 165.02483485
• SMILES: s1c2c(cccn2)cc1CO
• Canonical SMILES: OCc1cc2c(s1)nccc2
• InChI: InChI=1S/C8H7NOS/c10-5-7-4-6-2-1-3-9-8(6)11-7/h1-4,10H,5H2
• InChIKey: XLUKSWZEEAGBDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]pyridin-2-ylmethanol
• IUPAC Traditional name: thieno[2,3-b]pyridin-2-ylmethanol
• Synonyms: thieno[2,3-b]pyridin-2-ylmethanol; Thieno[2,3-b]pyridin-2-ylmethanol 97%

Database IDs

• CAS Number: 131337-81-0
• MDL Number: MFCD07772792
• PubChem SID: 162077897
• PubChem CID: 7162092

CALCULATED PROPERTIES

• Acid pKa: 14.250727
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.363985
• LogD (pH = 7.4): 1.3641478
• Log P: 1.3641499
• Molar Refractivity: 43.7938 cm^3
• Polarizability: 17.39194 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46.5-49°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%