thieno[3,2-b]pyridine-5,7-diol

• ChemBase ID: 292566
• Molecular Formular: C7H5NO2S
• Molecular Mass: 167.1851
• Monoisotopic Mass: 167.00409941
• SMILES: Oc1nc2c(scc2)c(O)c1
• Canonical SMILES: Oc1cc(O)c2c(n1)ccs2
• InChI: InChI=1S/C7H5NO2S/c9-5-3-6(10)8-4-1-2-11-7(4)5/h1-3H,(H2,8,9,10)
• InChIKey: VHXFEWNGLCHCOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-b]pyridine-5,7-diol
• IUPAC Traditional name: thieno[3,2-b]pyridine-5,7-diol
• Synonyms: Thieno[3,2-b]pyridine-5,7-diol

Database IDs

• CAS Number: 74695-40-2
• PubChem SID: 180678097
• PubChem CID: 54679747

CALCULATED PROPERTIES

• Acid pKa: 9.092834
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0046647
• LogD (pH = 7.4): 1.9962409
• Log P: 2.0047753
• Molar Refractivity: 41.1445 cm^3
• Polarizability: 16.82433 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%