2-Formyl-3-thiopheneboronic acid

Name: 2-Formyl-3-thiopheneboronic acid
Brand: BOC Sciences
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Molecular Formula:

C5H5BO3S

Molecular Weight:

155.97

CAS Number:

4347-31-3

Catalog Number:

4347-31-3

Product Information

Molecular Formula:

C5H5BO3S

Molecular Weight:

155.97

Description

2-Formyl-3-thiopheneboronic acid can be used as: A substrate in the palladium-Tedicyp catalyzed Suzuki coupling reaction with different aryl bromides; A starting material for the synthesis of 4H-thieno[2,3-c]-isoquinolin-5-one derivatives as PARP-1 inhibitors; A starting material for the preparation of phenanthro-dithiophene moieties having field-effect transistor properties. Reactant for: Suzuki cross-coupling reactions; Preparation of boronic acid esters.

Synonyms

(2-formylthiophen-3-yl)boronic acid

IUPAC Name

(2-formylthiophen-3-yl)boronic acid

Canonical SMILES

B(C1=C(SC=C1)C=O)(O)O

InChI

InChI=1S/C5H5BO3S/c7-3-5-4(6(8)9)1-2-10-5/h1-3,8-9H

InChI Key

BBENFHSYKBYWJX-UHFFFAOYSA-N

Boiling Point

396.7 °C at 760 mmHg

Melting Point

167-193 °C (lit.)

Flash Point

Not applicable

Purity

95 %

Density

1.41 g/cm³

LogP

-0.75960

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.0052454 g/mol

Monoisotopic Mass

156.0052454 g/mol

Topological Polar Surface Area

85.8Å²

Heavy Atom Count

Formal Charge

Complexity

130

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

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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-Formyl-3-thiopheneboronic acid

Product Information

Computed Properties

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