pyrazine-2-sulfonyl chloride

• ChemBase ID: 802304
• Molecular Formular: C4H3ClN2O2S
• Molecular Mass: 178.59682
• Monoisotopic Mass: 177.96037603
• SMILES: c1c(nccn1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1nccnc1
• InChI: InChI=1S/C4H3ClN2O2S/c5-10(8,9)4-3-6-1-2-7-4/h1-3H
• InChIKey: SGAABUUQIBNGFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2-sulfonyl chloride
• IUPAC Traditional name: pyrazine-2-sulfonyl chloride
• Synonyms: PYRAZINE-2-SULFONYL CHLORIDE

Database IDs

• CAS Number: 184170-48-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.078661524
• LogD (pH = 7.4): 0.078661524
• Log P: 0.078661524
• Molar Refractivity: 36.2519 cm^3
• Polarizability: 14.780539 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%