thieno[3,2-b]pyridine

• ChemBase ID: 288501
• Molecular Formular: C7H5NS
• Molecular Mass: 135.1863
• Monoisotopic Mass: 135.01427017
• SMILES: s1ccc2c1cccn2
• Canonical SMILES: c1cnc2c(c1)scc2
• InChI: InChI=1S/C7H5NS/c1-2-7-6(8-4-1)3-5-9-7/h1-5H
• InChIKey: DBDCNCCRPKTRSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 272-67-3
• MDL Number: MFCD11110437
• PubChem SID: 180674032
• PubChem CID: 12210218

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0141432
• LogD (pH = 7.4): 2.0174067
• Log P: 2.0174484
• Molar Refractivity: 36.8692 cm^3
• Polarizability: 15.615736 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%