5-HEXYL-2-THIOPHENEBORONIC ACID PINACOL

Inquiry

Molecular Formula:

C16H27BO2S

Molecular Weight:

294.26

CAS Number:

917985-54-7

Catalog Number:

917985-54-7

Product Information

Molecular Formula:

C16H27BO2S

Molecular Weight:

294.26

Description

5-HEXYL-2-THIOPHENEBORONIC ACID PINACOL is an essential biomedical compound with promising therapeutic properties, serves as a potential agent for treating specific afflictions. Employed extensively in pharmaceutical drug development, it effectively targets distinct receptors and enzymes linked to diverse diseases. This product significantly contributes to the progression of biomedical research and the facilitation of drug discovery endeavors.

Synonyms

2-(5-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

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

Canonical SMILES

CCCCCCc1ccc(s1)B2OC(C)(C)C(C)(C)O2

InChI

InChI=1S/C16H27BO2S/c1-6-7-8-9-10-13-11-12-14(20-13)17-18-15(2,3)16(4,5)19-17/h11-12H,6-10H2,1-5H3

InChI Key

FWZQTJFOKCBQGX-UHFFFAOYSA-N

Boiling Point

140-142 °C/0.5 mmHg

Flash Point

Not applicable

Purity

97%

Density

0.977 g/mL at 25 °C

Appearance

Colorless to yellow liquid

Refractive Index

1.5

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

294.1824814 g/mol

Monoisotopic Mass

294.1824814 g/mol

Topological Polar Surface Area

46.7Å²

Heavy Atom Count

Formal Charge

Complexity

304

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-HEXYL-2-THIOPHENEBORONIC ACID PINACOL

Product Information

Computed Properties

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