2-azidoethyl methanesulfonate

• ChemBase ID: 263615
• Molecular Formular: C3H7N3O3S
• Molecular Mass: 165.17098
• Monoisotopic Mass: 165.0208121
• SMILES: S(=O)(=O)(OCCN=[N+]=[N-])C
• Canonical SMILES: [N-]=[N+]=NCCOS(=O)(=O)C
• InChI: InChI=1S/C3H7N3O3S/c1-10(7,8)9-3-2-5-6-4/h2-3H2,1H3
• InChIKey: SEWGFZSRLNWBEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azidoethyl methanesulfonate
• IUPAC Traditional name: 2-azidoethyl methanesulfonate
• Synonyms: 2-azidoethyl methanesulfonate

Database IDs

• MDL Number: MFCD14648346
• PubChem SID: 164319525
• PubChem CID: 11275197

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.56621605
• LogD (pH = 7.4): -0.56621605
• Log P: -0.45217043
• Molar Refractivity: 33.5986 cm^3
• Polarizability: 13.648228 Å^3
• Polar Surface Area: 72.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.724

Product Information

• Purity: 95%