4-Methyl-3-thiopheneboronic acid pinacol ester

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Molecular Formula:

C11H17BO2S

CAS Number:

476620-20-9

Catalog Number:

476620-20-9

Product Information

Molecular Formula:

C11H17BO2S

Description

4-Methyl-3-thiopheneboronic acid pinacol ester is a valuable compound used in the biomedical industry for drug discovery and development. It plays a crucial role as a building block in the synthesis of pharmaceutical agents and research chemicals. Its unique structure and reactivity make it a useful tool for designing drugs targeting various diseases, including cancer, inflammation, and neurological disorders.

Synonyms

4-Methyl-3-thiopheneboronic acid pinacol ester; 4,4,5,5-Tetramethyl-2-[4-(methyl)thiophen-3-yl][1,3,2]dioxaborolane

IUPAC Name

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

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CSC=C2C

InChI

InChI=1S/C11H17BO2S/c1-8-6-15-7-9(8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3

InChI Key

XXSMGZQARORQMO-UHFFFAOYSA-N

Boiling Point

305.304°C at 760 mmHg

Flash Point

>230 °F

Purity

95%

Density

1.061g/cm3

Appearance

Liquid

Refractive Index

n20/D 1.5039

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

224.1042311 g/mol

Monoisotopic Mass

224.1042311 g/mol

Topological Polar Surface Area

46.7Å²

Heavy Atom Count

Formal Charge

Complexity

239

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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4-Methyl-3-thiopheneboronic acid pinacol ester

Product Information

Computed Properties

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