4-[3,5-dichloro-2-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole

• ChemBase ID: 234511
• Molecular Formular: C11H7Cl2F2NOS
• Molecular Mass: 310.1471864
• Monoisotopic Mass: 308.95934665
• SMILES: c1(c2c(c(cc(c2)Cl)Cl)OC(F)F)nc(sc1)C
• Canonical SMILES: FC(Oc1c(Cl)cc(cc1c1csc(n1)C)Cl)F
• InChI: InChI=1S/C11H7Cl2F2NOS/c1-5-16-9(4-18-5)7-2-6(12)3-8(13)10(7)17-11(14)15/h2-4,11H,1H3
• InChIKey: KBFBPBHJDSRNLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3,5-dichloro-2-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole
• IUPAC Traditional name: 4-[3,5-dichloro-2-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole
• Synonyms: 4-[3,5-dichloro-2-(difluoromethoxy)phenyl]-2-methyl-1,3-thiazole

Database IDs

• MDL Number: MFCD06357382
• PubChem SID: 164290421
• PubChem CID: 3847092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.764984
• LogD (pH = 7.4): 4.765351
• Log P: 4.765355
• Molar Refractivity: 66.553 cm^3
• Polarizability: 26.708593 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.288

Product Information

• Purity: 95%