7-chlorothieno[2,3-c]pyridine

• ChemBase ID: 287009
• Molecular Formular: C7H4ClNS
• Molecular Mass: 169.63136
• Monoisotopic Mass: 168.97529781
• SMILES: Clc1nccc2c1scc2
• Canonical SMILES: Clc1nccc2c1scc2
• InChI: InChI=1S/C7H4ClNS/c8-7-6-5(1-3-9-7)2-4-10-6/h1-4H
• InChIKey: HRHLEPHFARWKKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 28948-58-5
• PubChem SID: 180672540
• PubChem CID: 15914129

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4558134
• LogD (pH = 7.4): 2.4558198
• Log P: 2.45582
• Molar Refractivity: 43.1073 cm^3
• Polarizability: 17.544224 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%