2-(azidomethyl)-5-chlorothiophene

• ChemBase ID: 242159
• Molecular Formular: C5H4ClN3S
• Molecular Mass: 173.62336
• Monoisotopic Mass: 172.98144582
• SMILES: [N+](=[N-])=NCc1sc(cc1)Cl
• Canonical SMILES: [N-]=[N+]=NCc1ccc(s1)Cl
• InChI: InChI=1S/C5H4ClN3S/c6-5-2-1-4(10-5)3-8-9-7/h1-2H,3H2
• InChIKey: UFUYOBONKKTXGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14652276
• PubChem SID: 164298069
• PubChem CID: 59556231

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5951169
• LogD (pH = 7.4): 2.5951169
• Log P: 2.7091625
• Molar Refractivity: 40.021 cm^3
• Polarizability: 15.131447 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.665

Product Information

• Purity: 95%