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

• ChemBase ID: 814448
• Molecular Formular: C16H29NOSSn
• Molecular Mass: 402.17356
• Monoisotopic Mass: 403.09917955
• SMILES: s1c(nc(c1)C=O)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1scc(n1)C=O)(CCCC)CCCC
• InChI: InChI=1S/C4H2NOS.3C4H9.Sn/c6-1-4-2-7-3-5-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3
• InChIKey: IZSBCUFKBRRYAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8239136
• LogD (pH = 7.4): 4.823999
• Log P: 4.824
• Molar Refractivity: 84.7705 cm^3
• Polarizability: 37.531944 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%