Potassium 4-(methylthio)phenyltrifluoroborate

Inquiry

Molecular Formula:

C7H7BF3KS

Molecular Weight:

230.10

CAS Number:

871231-43-5

Catalog Number:

871231-43-5

Product Information

Molecular Formula:

C7H7BF3KS

Molecular Weight:

230.10

Description

Potassium 4-(methylthio)phenyltrifluoroborate is an indispensable compound in the biomedicine sector and exhibits immense potential as a key precursor for numerous pharmaceutical agents. Renowned for its distinctive attributes, it holds paramount significance in the advancement of therapeutic interventions targeting cancer, inflammation, and neurological afflictions.

Synonyms

Potassium 4-(methylthio)phenyltrifluoroborate; potassium trifluoro[4-(methylsulfanyl)phenyl]boranuide; Potassium trifluoro(4-(methylthio)phenyl)borate; potassium; trifluoro-(4-methylsulfanylphenyl)boranuide; POTASSIUM4-(METHYLTHIO)PHENYLTRIFLUORO&; Potassium 3-methylthiophenyltrifluoroborate; Potassium trifluoro[4-(methylsulfanyl)phenyl]borate(1-)

IUPAC Name

potassiumtrifluoro-(4-methylsulfanylphenyl)boranuide

Canonical SMILES

[B-](C1=CC=C(C=C1)SC)(F)(F)F.[K+]

InChI

InChI=1S/C7H7BF3S.K/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3/q-1+1

InChI Key

RXGCQQOLNQOSLX-UHFFFAOYSA-N

Melting Point

>300 °C

Purity

95%

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

229.9950675 g/mol

Monoisotopic Mass

229.9950675 g/mol

Topological Polar Surface Area

25.3Å²

Heavy Atom Count

Formal Charge

Complexity

145

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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Potassium 4-(methylthio)phenyltrifluoroborate

Product Information

Safety Information

Computed Properties

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