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

• ChemBase ID: 293584
• Molecular Formular: C7H5NOS
• Molecular Mass: 151.1857
• Monoisotopic Mass: 151.00918479
• SMILES: Oc1nccc2c1ccs2
• Canonical SMILES: Oc1nccc2c1ccs2
• InChI: InChI=1S/C7H5NOS/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
• InChIKey: DUPNPBCUJHMSFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 27685-92-3
• MDL Number: MFCD00673989
• PubChem SID: 180679115
• PubChem CID: 288525

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9224541
• LogD (pH = 7.4): 1.9224513
• Log P: 1.9224904
• Molar Refractivity: 39.5356 cm^3
• Polarizability: 16.211042 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 11.445584

PROPERTIES

Product Information

• Purity: 97%