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4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1-THIOPHEN-2-YLMETHYL-1H-PYRAZOLE

4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1-THIOPHEN-2-YLMETHYL-1H-PYRAZOLE

Inquiry

Molecular Formula:

C14H19BN2O2S

Molecular Weight:

290.18886

CAS Number:

864754-19-8

Catalog Number:

864754-19-8

Product Information

Molecular Formula:

C14H19BN2O2S

Molecular Weight:

290.18886

Description

4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-thiophen-2-ylmethyl-1H-pyrazole can inhibit the burgeoning of cancerous cells and suppresses the pernicious emergence of tumors.

Synonyms

4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1-THIOPHEN-2-YLMETHYL-1H-PYRAZOLE; 1-(THIOPHEN-2-YLMETHYL)-1H-PYRAZOL-4-BORONIC ACID PINACOL ESTER; 1-(thiophen-2-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan

IUPAC Name

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(thiophen-2-ylmethyl)pyrazole

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CS3

InChI

InChI=1S/C14H19BN2O2S/c1-13(2)14(3,4)19-15(18-13)11-8-16-17(9-11)10-12-6-5-7-20-12/h5-9H,10H2,1-4H3

InChI Key

ANSBFDYOIUZSNT-UHFFFAOYSA-N

Melting Point

56-58 °C

Flash Point

Not applicable

Purity

95%

Appearance

Beige powder

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

290.1260292 g/mol

Monoisotopic Mass

290.1260292 g/mol

Topological Polar Surface Area

64.5Å²

Heavy Atom Count

Formal Charge

Complexity

351

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-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1-THIOPHEN-2-YLMETHYL-1H-PYRAZOLE

Product Information

Computed Properties

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