2-(azidomethyl)-5-bromothiophene

• ChemBase ID: 241497
• Molecular Formular: C5H4BrN3S
• Molecular Mass: 218.07436
• Monoisotopic Mass: 216.93093014
• SMILES: [N+](=[N-])=NCc1sc(cc1)Br
• Canonical SMILES: [N-]=[N+]=NCc1ccc(s1)Br
• InChI: InChI=1S/C5H4BrN3S/c6-5-2-1-4(10-5)3-8-9-7/h1-2H,3H2
• InChIKey: KWDGPRKFDFZDPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azidomethyl)-5-bromothiophene
• IUPAC Traditional name: 2-(azidomethyl)-5-bromothiophene
• Synonyms: 2-(azidomethyl)-5-bromothiophene

Database IDs

• MDL Number: MFCD14652275
• PubChem SID: 164297407
• PubChem CID: 61374754

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7598248
• LogD (pH = 7.4): 2.7598248
• Log P: 2.8738704
• Molar Refractivity: 42.839 cm^3
• Polarizability: 16.18897 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.815

Product Information

• Purity: 95%