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

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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
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
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
418.1615120 g/mol
Monoisotopic Mass
418.1615120 g/mol
Topological Polar Surface Area
93.4Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
529
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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