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

• ChemBase ID: 810807
• Molecular Formular: C11H9NO2S
• Molecular Mass: 219.25966
• Monoisotopic Mass: 219.03539953
• SMILES: s1c(nc(c1)C=O)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1c1scc(n1)C=O
• InChI: InChI=1S/C11H9NO2S/c1-14-10-5-3-2-4-9(10)11-12-8(6-13)7-15-11/h2-7H,1H3
• InChIKey: ZOSOJISOZSLKEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
• IUPAC Traditional name: 2-(2-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
• Synonyms: 2-(2-METHOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE

Database IDs

• CAS Number: 885279-11-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8861797
• LogD (pH = 7.4): 2.886183
• Log P: 2.886183
• Molar Refractivity: 69.03 cm^3
• Polarizability: 22.814274 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%