5-CARBOXYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER

Inquiry

Molecular Formula:

C11H15BO4S

CAS Number:

779335-05-6

Catalog Number:

779335-05-6

Product Information

Molecular Formula:

C11H15BO4S

Description

5-CARBOXYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER, also known as compound X, is a remarkable chemical entity extensively employed in the biomedical sector. Pioneering researchers have identified its immense potential in combatting a diverse range of ailments such as cancer and diabetes. Due to its exceptional structural characteristics and inherent properties, this compound exhibits extraordinary promise as a targeted drug delivery system, rendering it invaluable in the realm of therapeutic applications.

Synonyms

5-CARBOXYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER; 5-Carboxythiophene-2-boronic acid pinacol ester; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid

IUPAC Name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C(=O)O

InChI

InChI=1S/C11H15BO4S/c1-10(2)11(3,4)16-12(15-10)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14)

InChI Key

YLZRZHOUXZZBTF-UHFFFAOYSA-N

Boiling Point

403.444°C at 760 mmHg

Melting Point

176-181 °C

Flash Point

Not applicable

Purity

96%

Density

1.235 g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

254.0784103 g/mol

Monoisotopic Mass

254.0784103 g/mol

Topological Polar Surface Area

84Å²

Heavy Atom Count

Formal Charge

Complexity

315

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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5-CARBOXYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER

Product Information

Computed Properties

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