ethyl 2-(tributylstannyl)-1,3-thiazole-4-carboxylate

• ChemBase ID: 814449
• Molecular Formular: C18H33NO2SSn
• Molecular Mass: 446.22612
• Monoisotopic Mass: 447.1253943
• SMILES: s1c(nc(c1)C(=O)OCC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scc(n1)C(=O)OCC)(CCCC)CCCC
• InChI: InChI=1S/C6H6NO2S.3C4H9.Sn/c1-2-9-6(8)5-3-10-4-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3
• InChIKey: NFWFYRMBJKQPBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6798882
• LogD (pH = 7.4): 4.6798997
• Log P: 4.6799
• Molar Refractivity: 94.9736 cm^3
• Polarizability: 41.923508 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%