7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride

• ChemBase ID: 245010
• Molecular Formular: C8H11ClN2O2S
• Molecular Mass: 234.70314
• Monoisotopic Mass: 234.02297628
• SMILES: c1(n2c(nc1)CC(CC2)C)S(=O)(=O)Cl
• Canonical SMILES: CC1CCn2c(C1)ncc2S(=O)(=O)Cl
• InChI: InChI=1S/C8H11ClN2O2S/c1-6-2-3-11-7(4-6)10-5-8(11)14(9,12)13/h5-6H,2-4H2,1H3
• InChIKey: MLERAGYCQWHUTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride
• IUPAC Traditional name: 7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride
• Synonyms: 7-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD23144020
• PubChem SID: 164300920
• PubChem CID: 71757639

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1847756
• LogD (pH = 7.4): 1.1955618
• Log P: 1.1957014
• Molar Refractivity: 53.8426 cm^3
• Polarizability: 21.624575 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.623

Product Information

• Purity: 95%