5-(tributylstannyl)-1H-indole

• ChemBase ID: 77669
• Molecular Formular: C20H33NSn
• Molecular Mass: 406.18372
• Monoisotopic Mass: 407.16349406
• SMILES: [Sn](c1ccc2c(c1)cc[nH]2)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc2c(c1)cc[nH]2)(CCCC)CCCC
• InChI: InChI=1S/C8H6N.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h2-6,9H;3*1,3-4H2,2H3
• InChIKey: MCXZZBMEFQHTIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tributylstannyl)-1H-indole
• IUPAC Traditional name: 5-(tributylstannyl)-1H-indole
• Synonyms: 5-(Tributylstannyl)-1H-indole

Database IDs

• MDL Number: MFCD01319078
• PubChem SID: 162042541
• PubChem CID: 15738841

CALCULATED PROPERTIES

• Acid pKa: 16.47339
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 5.2323
• LogD (pH = 7.4): 5.2323
• Log P: 5.2323
• Molar Refractivity: 94.9765 cm^3
• Polarizability: 42.896263 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Toxic