4H,5H,6H,7H-thieno[3,2-c]pyridin-7-ol

• ChemBase ID: 236963
• Molecular Formular: C7H9NOS
• Molecular Mass: 155.21746
• Monoisotopic Mass: 155.04048491
• SMILES: c12c(ccs1)CNCC2O
• Canonical SMILES: OC1CNCc2c1scc2
• InChI: InChI=1S/C7H9NOS/c9-6-4-8-3-5-1-2-10-7(5)6/h1-2,6,8-9H,3-4H2
• InChIKey: RZMPFAFYCVSHHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-thieno[3,2-c]pyridin-7-ol
• IUPAC Traditional name: 4H,5H,6H,7H-thieno[3,2-c]pyridin-7-ol
• Synonyms: 4H,5H,6H,7H-thieno[3,2-c]pyridin-7-ol

Database IDs

• MDL Number: MFCD13185998
• PubChem SID: 164292873
• PubChem CID: 12337015

CALCULATED PROPERTIES

• Acid pKa: 13.632432
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0432668
• LogD (pH = 7.4): -0.31640756
• Log P: 0.56536835
• Molar Refractivity: 40.713 cm^3
• Polarizability: 15.927373 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.169

Product Information

• Purity: 95%