2-(methylsulfanyl)-5-(tributylstannyl)pyridine

• ChemBase ID: 64220
• Molecular Formular: C18H33NSSn
• Molecular Mass: 414.22732
• Monoisotopic Mass: 415.13556506
• SMILES: n1c(SC)ccc([Sn](CCCC)(CCCC)CCCC)c1
• Canonical SMILES: CCCC[Sn](c1ccc(nc1)SC)(CCCC)CCCC
• InChI: InChI=1S/C6H6NS.3C4H9.Sn/c1-8-6-4-2-3-5-7-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3
• InChIKey: IHXKWCSTEAWEQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylsulfanyl)-5-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-(methylsulfanyl)-5-(tributylstannyl)pyridine
• Synonyms: 2-(Methylthio)-5-(tributylstannyl)pyridine; 2-Methylthio-5-(tributylstannyl)pyridine

Database IDs

• CAS Number: 611168-64-0
• MDL Number: MFCD09025805
• PubChem SID: 162029959
• PubChem CID: 16427117

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1644125
• LogD (pH = 7.4): 5.172792
• Log P: 5.1729
• Molar Refractivity: 94.8055 cm^3
• Polarizability: 41.73342 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false

Product Information

• Purity: 95%