5-Methylthiophene-2-boronic Acid Pinacol Ester

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Molecular Formula:

C11H17O2SB

Molecular Weight:

224.13

CAS Number:

476004-80-5

Catalog Number:

476004-80-5

Product Information

Molecular Formula:

C11H17O2SB

Molecular Weight:

224.13

Description

5-Methylthiophene-2-boronic Acid Pinacol Ester (CAS# 476004-80-5) is a useful research chemical.

Synonyms

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

IUPAC Name

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

Canonical SMILES

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

InChI

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

InChI Key

LTOLNTYOBPPFLS-UHFFFAOYSA-N

Boiling Point

308.2 °C at 760 mmHg

Flash Point

221.0 °F

Purity

95 %

Density

0.937 g/mL at 25 °C (lit.)

Appearance

Light yellow clear liquid

LogP

2.35570

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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5-Methylthiophene-2-boronic Acid Pinacol Ester

Product Information

Computed Properties

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