2-(tributylstannyl)-4-(trifluoromethyl)-1,3-thiazole

• ChemBase ID: 802763
• Molecular Formular: C16H28F3NSSn
• Molecular Mass: 442.1614296
• Monoisotopic Mass: 443.09164956
• SMILES: s1c(nc(c1)C(F)(F)F)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scc(n1)C(F)(F)F)(CCCC)CCCC
• InChI: InChI=1S/C4HF3NS.3C4H9.Sn/c5-4(6,7)3-1-9-2-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3
• InChIKey: NGTMMEPBAPUXRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tributylstannyl)-4-(trifluoromethyl)-1,3-thiazole
• IUPAC Traditional name: 2-(tributylstannyl)-4-(trifluoromethyl)-1,3-thiazole
• Synonyms: 2-(TRIBUTYLSTANNYL)-4-(TRIFLUOROMETHYL)THIAZOLE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6725845
• LogD (pH = 7.4): 5.6726
• Log P: 5.6726
• Molar Refractivity: 84.1734 cm^3
• Polarizability: 36.887802 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%