1-methyl-2-(tributylstannyl)-1H-1,3-benzodiazole

• ChemBase ID: 812653
• Molecular Formular: C20H34N2Sn
• Molecular Mass: 421.19836
• Monoisotopic Mass: 422.1743931
• SMILES: c12n(c(nc1cccc2)[Sn](CCCC)(CCCC)CCCC)C
• Canonical SMILES: CCCC[Sn](c1nc2c(n1C)cccc2)(CCCC)CCCC
• InChI: InChI=1S/C8H7N2.3C4H9.Sn/c1-10-6-9-7-4-2-3-5-8(7)10;3*1-3-4-2;/h2-5H,1H3;3*1,3-4H2,2H3
• InChIKey: LFPPJEBRIYREGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-(tributylstannyl)-1H-1,3-benzodiazole
• IUPAC Traditional name: 1-methyl-2-(tributylstannyl)-1,3-benzodiazole
• Synonyms: 1-METHYL-2-TRIBUTYLSTANNANYL-1H-BENZOIMIDAZOLE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.454191
• LogD (pH = 7.4): 5.420404
• Log P: 5.4865
• Molar Refractivity: 97.1705 cm^3
• Polarizability: 43.7784 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%