2,2Bithiophene-5-boronic acid pinacol ester

Inquiry

Molecular Formula:

C14H17BO2S2

Molecular Weight:

292.22

CAS Number:

479719-88-5

Catalog Number:

479719-88-5

Product Information

Molecular Formula:

C14H17BO2S2

Molecular Weight:

292.22

Description

2,2-Bithiophene-5-boronic acid pinacol ester is a drug-related organic compound that is widely used in the synthesis of drugs with anticancer and antituberculosis properties.

Synonyms

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2-bithiophene

IUPAC Name

4,4,5,5-tetramethyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3,2-dioxaborolane

Canonical SMILES

CC1(C)OB(OC1(C)C)c2ccc(s2)-c3cccs3

InChI

InChI=1S/C14H17BO2S2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

InChI Key

HPOQARMSOPOZMW-UHFFFAOYSA-N

Melting Point

35.5-38.0 °C (average)

Flash Point

Not applicable

Refractive Index

1.5900 (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

292.0763023 g/mol

Monoisotopic Mass

292.0763023 g/mol

Topological Polar Surface Area

74.9Å²

Heavy Atom Count

Formal Charge

Complexity

332

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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2,2Bithiophene-5-boronic acid pinacol ester

Product Information

Computed Properties

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