1H-imidazole-1-sulfonyl azide hydrochloride

• ChemBase ID: 127802
• Molecular Formular: C3H4ClN5O2S
• Molecular Mass: 209.61416
• Monoisotopic Mass: 208.97742307
• SMILES: Cl.O=S(=O)(N=[N+]=[N-])n1ccnc1
• Canonical SMILES: [N-]=[N+]=NS(=O)(=O)n1cncc1.Cl
• InChI: InChI=1S/C3H3N5O2S.ClH/c4-6-7-11(9,10)8-2-1-5-3-8;/h1-3H;1H
• InChIKey: XYURSCOGYWBRDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazole-1-sulfonyl azide hydrochloride
• IUPAC Traditional name: imidazole-1-sulfonyl azide hydrochloride
• Synonyms: Imidazole-1-sulfonyl azide; 1H-imidazole-1-sulfonyl azide hydrochloride

Database IDs

• CAS Number: 952234-37-6
• MDL Number: MFCD19705431
• PubChem SID: 162222120
• PubChem CID: 23583982
• Chemspider ID: 21374920
• Wikipedia Title: Imidazole-1-sulfonyl_azide

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

Physical Property

• Apperance: Colourless Liquid
• Hydrophobicity(logP): -0.13

Safety Information

• Main Hazard: Potentially explosive, Harmful

Product Information

• Purity: 95%