2-(azidomethyl)thiophene

• ChemBase ID: 284089
• Molecular Formular: C5H5N3S
• Molecular Mass: 139.1783
• Monoisotopic Mass: 139.02041818
• SMILES: [N+](=[N-])=NCc1sccc1
• Canonical SMILES: [N-]=[N+]=NCc1cccs1
• InChI: InChI=1S/C5H5N3S/c6-8-7-4-5-2-1-3-9-5/h1-3H,4H2
• InChIKey: ARAXHPYIMRBUKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azidomethyl)thiophene
• IUPAC Traditional name: 2-(azidomethyl)thiophene
• Synonyms: 2-(azidomethyl)thiophene

Database IDs

• MDL Number: MFCD14652274
• PubChem SID: 180669620
• PubChem CID: 11815440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8250762
• LogD (pH = 7.4): 1.8250762
• Log P: 1.9391218
• Molar Refractivity: 36.0563 cm^3
• Polarizability: 13.125594 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.91

Product Information

• Purity: 95%