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

• ChemBase ID: 811447
• Molecular Formular: C11H10ClNOS
• Molecular Mass: 239.7212
• Monoisotopic Mass: 239.01716263
• SMILES: s1c(nc(c1)CCl)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1scc(n1)CCl
• InChI: InChI=1S/C11H10ClNOS/c1-14-10-4-2-8(3-5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3
• InChIKey: QUGNZVWIWYZXEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1677306
• LogD (pH = 7.4): 3.16785
• Log P: 3.1678514
• Molar Refractivity: 72.1759 cm^3
• Polarizability: 24.55661 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%