4-methylbenzene-1-sulfonyl azide

• ChemBase ID: 272627
• Molecular Formular: C7H7N3O2S
• Molecular Mass: 197.21438
• Monoisotopic Mass: 197.02589748
• SMILES: S(=O)(=O)(N=[N+]=[N-])c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N=[N+]=[N-]
• InChI: InChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3
• InChIKey: NDLIRBZKZSDGSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylbenzene-1-sulfonyl azide
• IUPAC Traditional name: tosyl azide
• Synonyms: 4-methylbenzene-1-sulfonyl azide

Database IDs

• MDL Number: MFCD00180767
• PubChem SID: 164328537
• PubChem CID: 13661

CALCULATED PROPERTIES

• Polar Surface Area: 63.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.623537
• LogD (pH = 7.4): 1.623537
• Log P: 1.7375826
• Molar Refractivity: 47.8142 cm^3
• Polarizability: 18.555819 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.353

Product Information

• Purity: 95%