dimethyl-1,2-oxazole-4-sulfonyl azide

• ChemBase ID: 270048
• Molecular Formular: C5H6N4O3S
• Molecular Mass: 202.19114
• Monoisotopic Mass: 202.01606107
• SMILES: S(=O)(=O)(c1c(onc1C)C)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NS(=O)(=O)c1c(C)noc1C
• InChI: InChI=1S/C5H6N4O3S/c1-3-5(4(2)12-7-3)13(10,11)9-8-6/h1-2H3
• InChIKey: YVAWIJSJSPUJDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl-1,2-oxazole-4-sulfonyl azide
• IUPAC Traditional name: dimethyl-1,2-oxazole-4-sulfonyl azide
• Synonyms: 3,5-dimethyl-1,2-oxazole-4-sulfonyl azide

Database IDs

• MDL Number: MFCD11632112
• PubChem SID: 164325958
• PubChem CID: 12873207

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.19440928
• LogD (pH = 7.4): -0.19440758
• Log P: -0.08036192
• Molar Refractivity: 43.9562 cm^3
• Polarizability: 16.55542 Å^3
• Polar Surface Area: 89.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.371

Product Information

• Purity: 95%