4,6-dichlorothieno[2,3-b]pyridine

• ChemBase ID: 289200
• Molecular Formular: C7H3Cl2NS
• Molecular Mass: 204.07642
• Monoisotopic Mass: 202.93632546
• SMILES: Clc1nc2c(ccs2)c(Cl)c1
• Canonical SMILES: Clc1cc(Cl)c2c(n1)scc2
• InChI: InChI=1S/C7H3Cl2NS/c8-5-3-6(9)10-7-4(5)1-2-11-7/h1-3H
• InChIKey: OUMURQZNFGBWAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichlorothieno[2,3-b]pyridine
• IUPAC Traditional name: 4,6-dichlorothieno[2,3-b]pyridine
• Synonyms: 4,6-Dichlorothieno[2,3-b]pyridine

Database IDs

• CAS Number: 99429-80-8
• PubChem SID: 180674731
• PubChem CID: 13481419

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4273267
• LogD (pH = 7.4): 3.4273267
• Log P: 3.4273267
• Molar Refractivity: 47.8647 cm^3
• Polarizability: 18.812468 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%