5,7-dichlorothieno[3,2-b]pyridine

• ChemBase ID: 289210
• Molecular Formular: C7H3Cl2NS
• Molecular Mass: 204.07642
• Monoisotopic Mass: 202.93632546
• SMILES: Clc1c2c(ccs2)nc(Cl)c1
• Canonical SMILES: Clc1cc(Cl)c2c(n1)ccs2
• InChI: InChI=1S/C7H3Cl2NS/c8-4-3-6(9)10-5-1-2-11-7(4)5/h1-3H
• InChIKey: GACWBJMFVQODCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichlorothieno[3,2-b]pyridine
• IUPAC Traditional name: 5,7-dichlorothieno[3,2-b]pyridine
• Synonyms: 5,7-Dichlorothieno[3,2-b]pyridine

Database IDs

• CAS Number: 74695-44-6
• PubChem SID: 180674741
• PubChem CID: 12628602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.445715
• LogD (pH = 7.4): 3.445715
• Log P: 3.445715
• Molar Refractivity: 47.5401 cm^3
• Polarizability: 19.45469 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%