6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

• ChemBase ID: 297501
• Molecular Formular: C12H7FN2OS
• Molecular Mass: 246.2601832
• Monoisotopic Mass: 246.02631207
• SMILES: c1cc(ccc1c1c(n2ccsc2n1)C=O)F
• Canonical SMILES: O=Cc1c(nc2n1ccs2)c1ccc(cc1)F
• InChI: InChI=1S/C12H7FN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
• InChIKey: NMJLTWCGJYJVDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• IUPAC Traditional name: 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• Synonyms: 6-(4-Fluorophenyl)imidazo[2,1-b]thiazole-5-carboxaldehyde; 6-(4-氟苯基)咪唑并[2,1-b]噻唑-5-甲醛

Database IDs

• CAS Number: 134670-30-7
• MDL Number: MFCD00268731
• PubChem SID: 180683032
• PubChem CID: 2759102

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6013658
• LogD (pH = 7.4): 2.6015298
• Log P: 2.6015317
• Molar Refractivity: 74.9545 cm^3
• Polarizability: 24.49515 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%