1H-imidazole-1-sulfonyl azide

• ChemBase ID: 798410
• Molecular Formular: C3H3N5O2S
• Molecular Mass: 173.15322
• Monoisotopic Mass: 173.00074536
• SMILES: n1(cncc1)S(=O)(=O)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NS(=O)(=O)n1cncc1
• InChI: InChI=1S/C3H3N5O2S/c4-6-7-11(9,10)8-2-1-5-3-8/h1-3H
• InChIKey: GFRDSYFROJUKBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazole-1-sulfonyl azide
• IUPAC Traditional name: imidazole-1-sulfonyl azide
• Synonyms: 1h-imidazole-1-sulfonyl azide

Database IDs

• CAS Number: 952234-37-6

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2663138
• LogD (pH = 7.4): -1.2557296
• Log P: -1.1415461
• Molar Refractivity: 35.2159 cm^3
• Polarizability: 13.8508625 Å^3
• Polar Surface Area: 81.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%