7-chlorothieno[3,2-b]pyridine

• ChemBase ID: 63842
• Molecular Formular: C7H4ClNS
• Molecular Mass: 169.63136
• Monoisotopic Mass: 168.97529781
• SMILES: c12sccc1nccc2Cl
• Canonical SMILES: Clc1ccnc2c1scc2
• InChI: InChI=1S/C7H4ClNS/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4H
• InChIKey: GYQUXKQLCNFKQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chlorothieno[3,2-b]pyridine
• IUPAC Traditional name: 7-chlorothieno[3,2-b]pyridine
• Synonyms: 7-Chlorothieno[3,2-b]pyridine

Database IDs

• CAS Number: 69627-03-8
• MDL Number: MFCD08448161
• PubChem SID: 162029581
• PubChem CID: 11275251

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6210573
• LogD (pH = 7.4): 2.6214876
• Log P: 2.621493
• Molar Refractivity: 41.674 cm^3
• Polarizability: 17.487299 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 - 34°C
• Hydrophobicity(logP): 2.802

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%