5-methoxypyrazine-2-sulfonyl chloride

• ChemBase ID: 814328
• Molecular Formular: C5H5ClN2O3S
• Molecular Mass: 208.6228
• Monoisotopic Mass: 207.97094071
• SMILES: c1c(ncc(n1)OC)S(=O)(=O)Cl
• Canonical SMILES: COc1ncc(nc1)S(=O)(=O)Cl
• InChI: InChI=1S/C5H5ClN2O3S/c1-11-4-2-8-5(3-7-4)12(6,9)10/h2-3H,1H3
• InChIKey: MOYRDVWXZYCSNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypyrazine-2-sulfonyl chloride
• IUPAC Traditional name: 5-methoxypyrazine-2-sulfonyl chloride
• Synonyms: 5-methoxypyrazine-2-sulfonyl chloride

Database IDs

• CAS Number: 1108654-58-5

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5154478
• LogD (pH = 7.4): 0.5154478
• Log P: 0.5154478
• Molar Refractivity: 43.0286 cm^3
• Polarizability: 17.350578 Å^3
• Polar Surface Area: 69.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%