4-(propan-2-yl)-2-(tributylstannyl)-1,3-thiazole

• ChemBase ID: 813725
• Molecular Formular: C18H35NSSn
• Molecular Mass: 416.2432
• Monoisotopic Mass: 417.15121513
• SMILES: s1c(nc(c1)C(C)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scc(n1)C(C)C)(CCCC)CCCC
• InChI: InChI=1S/C6H8NS.3C4H9.Sn/c1-5(2)6-3-8-4-7-6;3*1-3-4-2;/h3,5H,1-2H3;3*1,3-4H2,2H3
• InChIKey: GYDWQKAQQDSQMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)-2-(tributylstannyl)-1,3-thiazole
• IUPAC Traditional name: 4-isopropyl-2-(tributylstannyl)-1,3-thiazole
• Synonyms: 4-isopropyl-2-(tributylstannyl)thiazole

Database IDs

• CAS Number: 1108659-24-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.747814
• LogD (pH = 7.4): 5.751848
• Log P: 5.7519
• Molar Refractivity: 92.3646 cm^3
• Polarizability: 40.98192 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%