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2,2'-Bithiophene-5,5'-diboronic acid bis(pinacol) ester

2,2'-Bithiophene-5,5'-diboronic acid bis(pinacol) ester

Inquiry

Molecular Formula:

C20H28B2O4S2

Molecular Weight:

418.19

CAS Number:

239075-02-6

Catalog Number:

239075-02-6

Product Information

Molecular Formula:

C20H28B2O4S2

Molecular Weight:

418.19

Description

2,2'-Bithiophene-5,5'-diboronic acid bis(pinacol) ester is an essential compound used in pharmaceutical synthesis specifically for anti-cancer drugs. Its strategic use contributes to formulating more effective treatments for various types of cancer.

Synonyms

2,2'-BITHIOPHENE-5,5'-DIBORONIC ACID BIS(PINACOL) ESTER, 97%

IUPAC Name

4,4,5,5-tetramethyl-2-[5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]thiophen-2-yl]-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=CC=C(S3)B4OC(C(O4)(C)C)(C)C

InChI

InChI=1S/C20H28B2O4S2/c1-17(2)18(3,4)24-21(23-17)15-11-9-13(27-15)14-10-12-16(28-14)22-25-19(5,6)20(7,8)26-22/h9-12H,1-8H3

InChI Key

XWWXVHGWYCXJCJ-UHFFFAOYSA-N

Boiling Point

530.458°C at 760 mmHg

Melting Point

208-212°C

Flash Point

Not applicable

Purity

98%

Density

1.17g/cm3

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

418.1615120 g/mol

Monoisotopic Mass

418.1615120 g/mol

Topological Polar Surface Area

93.4Å²

Heavy Atom Count

Formal Charge

Complexity

529

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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Volume _(start)

Concentration _(final)

Volume _(final)

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2,2'-Bithiophene-5,5'-diboronic acid bis(pinacol) ester

Product Information

Computed Properties

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