triphenylstannylium acetate

• ChemBase ID: 127410
• Molecular Formular: C20H18O2Sn
• Molecular Mass: 409.05672
• Monoisotopic Mass: 410.03287382
• SMILES: [O-]C(=O)C.c1c([Sn+](c2ccccc2)c2ccccc2)cccc1
• Canonical SMILES: c1ccc(cc1)[Sn+](c1ccccc1)c1ccccc1.[O-]C(=O)C
• InChI: InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
• InChIKey: WDQNIWFZKXZFAY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylstannylium acetate
• IUPAC Traditional name: fentin acetate
• Synonyms: Phentin acetate; Triphenyltin acetate; Triphenylstannyl acetate; Acetic acid tri(phenyl)stannyl ester; Fentin acetate

Database IDs

• CAS Number: 900-95-8
• PubChem SID: 162221731
• PubChem CID: 9909408; 16682804
• CHEMBL: 474376
• Chemspider ID: 8085060
• KEGG ID: C18728
• Wikipedia Title: Fentin_acetate

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3066
• LogD (pH = 7.4): 4.3066
• Log P: 4.3066
• Molar Refractivity: 76.4229 cm^3
• Polarizability: 34.424286 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Risk Statements: R24/25 R26 R37/38 R40 R41 R48/23 R50/53 R63
• Safety Statements: S26 S28 S36/37/39 S45 S60 S61
• Main Hazard: Very toxic (T+); Dangerous for the environment (N)