4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-iodo-1,3-thiazole

• ChemBase ID: 798798
• Molecular Formular: C10H18INOSSi
• Molecular Mass: 355.31099
• Monoisotopic Mass: 354.99230973
• SMILES: s1c(nc(c1)CO[Si](C)(C)C(C)(C)C)I
• Canonical SMILES: CC([Si](OCc1csc(n1)I)(C)C)(C)C
• InChI: InChI=1S/C10H18INOSSi/c1-10(2,3)15(4,5)13-6-8-7-14-9(11)12-8/h7H,6H2,1-5H3
• InChIKey: VSGUNQSEXUIIEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-iodo-1,3-thiazole
• IUPAC Traditional name: 4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-iodo-1,3-thiazole
• Synonyms: 4-((tert-butyldimethylsilyloxy)methyl)-2-iodothiazole

Database IDs

• CAS Number: 875548-60-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9740987
• LogD (pH = 7.4): 3.9740999
• Log P: 3.9741
• Molar Refractivity: 69.6386 cm^3
• Polarizability: 29.966537 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%