3-(Ethylthio)phenylboronic Acid

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Molecular Formula:

C8H11O2SB

Molecular Weight:

182.05

CAS Number:

870718-05-1

Catalog Number:

870718-05-1

Product Information

Molecular Formula:

C8H11O2SB

Molecular Weight:

182.05

Description

3-(Ethylthio)phenylboronic Acid (CAS# 870718-05-1) is a useful research chemical.

Synonyms

[3-(ethylthio)phenyl]boronic acid; (3-ethylsulfanylphenyl)boronic acid

IUPAC Name

(3-ethylsulfanylphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)SCC)(O)O

InChI

InChI=1S/C8H11BO2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3

InChI Key

CZODYJDCHKOBID-UHFFFAOYSA-N

Boiling Point

351.7 °C at 760 mmHg

Melting Point

118-122 °C (lit.)

Density

1.18 g/cm³

LogP

0.47840

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

182.0572809 g/mol

Monoisotopic Mass

182.0572809 g/mol

Topological Polar Surface Area

65.8Å²

Heavy Atom Count

Formal Charge

Complexity

132

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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3-(Ethylthio)phenylboronic Acid

Product Information

Computed Properties

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