4-(4-fluorophenyl)-1,3-thiazole-2-carbaldehyde

• ChemBase ID: 306848
• Molecular Formular: C10H6FNOS
• Molecular Mass: 207.2241432
• Monoisotopic Mass: 207.01541304
• SMILES: n1c(csc1C=O)c1ccc(cc1)F
• Canonical SMILES: O=Cc1scc(n1)c1ccc(cc1)F
• InChI: InChI=1S/C10H6FNOS/c11-8-3-1-7(2-4-8)9-6-14-10(5-13)12-9/h1-6H
• InChIKey: WFSOVONCIJOYCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)-1,3-thiazole-2-carbaldehyde
• IUPAC Traditional name: 4-(4-fluorophenyl)-1,3-thiazole-2-carbaldehyde
• Synonyms: 4-(4-fluorophenyl)-1,3-thiazole-2-carbaldehyde

Database IDs

• CAS Number: 383142-69-6
• MDL Number: MFCD02665748

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1865556
• LogD (pH = 7.4): 3.1865563
• Log P: 3.1865563
• Molar Refractivity: 52.295 cm^3
• Polarizability: 20.628286 Å^3
• Polar Surface Area: 29.96 Å^2

PROPERTIES

Product Information

• Purity: 98%