Benzothiophene-2-boronic acid MIDA ester

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Molecular Formula:

C13H12BNO4S

Molecular Weight:

289.11

Product Information

Molecular Formula:

C13H12BNO4S

Molecular Weight:

289.11

Description

Benzothiophene-2-boronic acid MIDA ester is a crucial product in the biomedical industry. Known for its excellent pharmaceutical applications, it is commonly utilized in the synthesis of innovative drugs targeting various diseases. Its versatile nature allows researchers to develop effective treatments for ailments like cancer, cardiovascular disorders, and neurological conditions. With its unique molecular structure, Benzothiophene-2-boronic acid MIDA ester serves as a valuable tool in the field of biomedicine.

IUPAC Name

1-(1-benzothiophen-2-yl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione

Canonical SMILES

[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C13H12BNO4S/c1-15-7-12(16)18-14(15,19-13(17)8-15)11-6-9-4-2-3-5-10(9)20-11/h2-6H,7-8H2,1H3

InChI Key

DNFFKQOMJQDDOB-UHFFFAOYSA-N

Melting Point

189-193 °C

Flash Point

Not applicable

Purity

95%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

289.0580092 g/mol

Monoisotopic Mass

289.0580092 g/mol

Topological Polar Surface Area

80.8Å²

Heavy Atom Count

Formal Charge

Complexity

465

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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Benzothiophene-2-boronic acid MIDA ester

Product Information

Computed Properties

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