(Thiomorpholinium-4-ylmethyl)trifluoroborate

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Molecular Formula:

C5H11BF3NS

Molecular Weight:

185.02

CAS Number:

1268340-95-9

Catalog Number:

1268340-95-9

Product Information

Molecular Formula:

C5H11BF3NS

Molecular Weight:

185.02

Description

Organotrifluoroborate involved in Suzuki-Miyaura cross-coupling reactions and cross coupling with mesylated phenol derivativesOrganotrifluoroborates as versatile and stable boronic acid surrogates

Synonyms

Trifluoro(thiomorpholino-4-iummethyl)borate; Trifluoro[(thiomorpholin-4-ium-4-yl)methyl]borate(1-)

IUPAC Name

trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide

Canonical SMILES

[B-](C[NH+]1CCSCC1)(F)(F)F

InChI

InChI=1S/C5H10BF3NS/c7-6(8,9)5-10-1-3-11-4-2-10/h1-5H2/q-1/p+1

InChI Key

VUNVVPNMYVRSKZ-UHFFFAOYSA-O

Melting Point

146-156 °C

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

185.0657352 g/mol

Monoisotopic Mass

185.0657352 g/mol

Topological Polar Surface Area

29.7Å²

Heavy Atom Count

Formal Charge

Complexity

123

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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(Thiomorpholinium-4-ylmethyl)trifluoroborate

Product Information

Computed Properties

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