1-methyl-5-(tributylstannyl)-1H-1,2,3-triazole

• ChemBase ID: 814186
• Molecular Formular: C15H31N3Sn
• Molecular Mass: 372.12774
• Monoisotopic Mass: 373.15399201
• SMILES: n1(nncc1[Sn](CCCC)(CCCC)CCCC)C
• Canonical SMILES: CCCC[Sn](c1cnnn1C)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H4N3.Sn/c3*1-3-4-2;1-6-3-2-4-5-6;/h3*1,3-4H2,2H3;2H,1H3
• InChIKey: DPCBHPVSSFQHLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-(tributylstannyl)-1H-1,2,3-triazole
• IUPAC Traditional name: 1-methyl-5-(tributylstannyl)-1,2,3-triazole
• Synonyms: 1-methyl-5-(tributylstannyl)-1H-1,2,3-triazole

Database IDs

• CAS Number: 170681-98-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.713082
• LogD (pH = 7.4): 2.7130997
• Log P: 2.7131
• Molar Refractivity: 90.4037 cm^3
• Polarizability: 35.50209 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%