Benzyl(4-hydroxyphenyl)methylsulfonium Hexafluoroantimonate

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Product Information

Molecular Formula:
C14H15F6OSSb
Molecular Weight:
467.08
Description
Benzyl(4-hydroxyphenyl)methylsulfonium Hexafluoroantimonate is a notable biomedical agent that demonstrates remarkable potential in combating specific ailments. Acting as a proficient catalyst for diverse organic conversions, particularly in the realm of pharmaceutical synthesis, this compound exhibits unprecedented attributes pivotal in crafting pharmaceutical intermediates, notably antibacterial and antifungal drugs.
Synonyms
benzyl-(4-hydroxyphenyl)-methylsulfanium; hexafluoroantimony(1-)
IUPAC Name
benzyl-(4-hydroxyphenyl)-methylsulfaniumhexafluoroantimony(1-)
Canonical SMILES
C[S+](CC1=CC=CC=C1)C2=CC=C(C=C2)O.F[Sb-](F)(F)(F)(F)F
InChI
InChI=1S/C14H14OS.6FH.Sb/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11H2,1H36*1H/q+5/p-5
InChI Key
KNSKAMFDGOYVBE-UHFFFAOYSA-I
Melting Point
117 °C
Purity
>98.0%(T)(HPLC)
Appearance
White to Almost white powder to crystal

Safety Information

Hazards
H302+H332:
Harmful if swallowed.
Harmful if inhaled.
H411:
Toxic to aquatic life with long-lasting effects.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
3
Exact Mass
465.97859 g/mol
Monoisotopic Mass
465.97859 g/mol
Topological Polar Surface Area
21.2Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
256
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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