5-Cyanothiophene-2-boronic Acid Pinacol Ester

Inquiry

Molecular Formula:

C11H14NO2SB

Molecular Weight:

235.11

CAS Number:

676501-85-2

Catalog Number:

676501-85-2

Product Information

Molecular Formula:

C11H14NO2SB

Molecular Weight:

235.11

Description

5-Cyanothiophene-2-boronic Acid Pinacol Ester (CAS# 676501-85-2) is a useful research chemical.

Synonyms

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarbonitrile; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)9-6-5-8(7-13)16-9/h5-6H,1-4H3

InChI Key

LKRPJAKTFWEYGA-UHFFFAOYSA-N

Melting Point

79-82 °C

Purity

97 %

Storage

2-8 °C

LogP

0.87338

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501

Signal Word

Danger

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

235.0838300 g/mol

Monoisotopic Mass

235.0838300 g/mol

Topological Polar Surface Area

70.5Å²

Heavy Atom Count

Formal Charge

Complexity

320

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

Patents

Publication Number	Title	Priority Date
KR-20200017170-A	Novel pyridine derivatives having inhibition activity against SHIP2 and pharmaceutical compositions with the components	2018-08-08
US-2020369659-A1	Selective ligands for tau aggregates	2017-08-04
US-2019327974-A1	Synergists for improved pesticides	2017-01-09
WO-2018127928-A1	Synergists for improved pesticides	2017-01-09
BR-102015008298-A2	metalloenzyme inhibitor compounds as fungicides	2014-04-15
TW-201542090-A	Metalloenzyme inhibitor compound as a fungicide (1)	2014-04-15
US-10167300-B2	Metalloenzyme inhibitor compounds as fungicides	2014-04-15
US-2015291632-A1	Metalloenzyme inhibitor compounds as fungicides	2014-04-15
US-2018298038-A1	Metalloenzyme inhibitor compounds as fungicides	2014-04-15
US-9944664-B2	Metalloenzyme inhibitor compounds as fungicides	2014-04-15

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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