2,6-dimethylpyridine-4-sulfonyl chloride

• ChemBase ID: 815420
• Molecular Formular: C7H8ClNO2S
• Molecular Mass: 205.66192
• Monoisotopic Mass: 204.99642718
• SMILES: n1c(cc(cc1C)S(=O)(=O)Cl)C
• Canonical SMILES: Cc1cc(cc(n1)C)S(=O)(=O)Cl
• InChI: InChI=1S/C7H8ClNO2S/c1-5-3-7(12(8,10)11)4-6(2)9-5/h3-4H,1-2H3
• InChIKey: UHFNEOYZKVGGDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpyridine-4-sulfonyl chloride
• IUPAC Traditional name: 2,6-dimethylpyridine-4-sulfonyl chloride
• Synonyms: 2,6-dimethylpyridine-4-sulfonyl chloride

Database IDs

• CAS Number: 1025509-76-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.964114
• LogD (pH = 7.4): 0.9646104
• Log P: 0.9646168
• Molar Refractivity: 47.2783 cm^3
• Polarizability: 19.069992 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%