4-fluoro-1-benzothiophene

• ChemBase ID: 289045
• Molecular Formular: C8H5FS
• Molecular Mass: 152.1887032
• Monoisotopic Mass: 152.00959938
• SMILES: Fc1c2ccsc2ccc1
• Canonical SMILES: Fc1cccc2c1ccs2
• InChI: InChI=1S/C8H5FS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
• InChIKey: AOIWFWNSLJDPSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1-benzothiophene
• IUPAC Traditional name: 4-fluoro-1-benzothiophene
• Synonyms: 4-Fluorobenzo[b]thiophene

Database IDs

• CAS Number: 310466-38-7
• MDL Number: MFCD16657500
• PubChem SID: 180674576
• PubChem CID: 19088017

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9919724
• LogD (pH = 7.4): 2.9919724
• Log P: 2.9919724
• Molar Refractivity: 39.6145 cm^3
• Polarizability: 16.138971 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%