4-tert-butyl-2-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 813726
• Molecular Formular: C19H37NSSn
• Molecular Mass: 430.26978
• Monoisotopic Mass: 431.16686519
• SMILES: s1c(nc(c1)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scc(n1)C(C)(C)C)(CCCC)CCCC
• InChI: InChI=1S/C7H10NS.3C4H9.Sn/c1-7(2,3)6-4-9-5-8-6;3*1-3-4-2;/h4H,1-3H3;3*1,3-4H2,2H3
• InChIKey: UJKDSHGPKILWPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butyl-2-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 4-tert-butyl-2-(tributylstannyl)-1,3-thiazole
• Synonyms: 4-tert-butyl-2-(tributylstannyl)thiazole

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.413539
• LogD (pH = 7.4): 6.4169564
• Log P: 6.417
• Molar Refractivity: 96.8656 cm^3
• Polarizability: 42.813347 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%