5-HEXYL-2-THIOPHENEBORONIC ACID PINACOL

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Product Information

Molecular Formula:
C16H27BO2S
Molecular Weight:
294.26
Description
5-HEXYL-2-THIOPHENEBORONIC ACID PINACOL is an essential biomedical compound with promising therapeutic properties, serves as a potential agent for treating specific afflictions. Employed extensively in pharmaceutical drug development, it effectively targets distinct receptors and enzymes linked to diverse diseases. This product significantly contributes to the progression of biomedical research and the facilitation of drug discovery endeavors.
Synonyms
2-(5-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(5-hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
CCCCCCc1ccc(s1)B2OC(C)(C)C(C)(C)O2
InChI
InChI=1S/C16H27BO2S/c1-6-7-8-9-10-13-11-12-14(20-13)17-18-15(2,3)16(4,5)19-17/h11-12H,6-10H2,1-5H3
InChI Key
FWZQTJFOKCBQGX-UHFFFAOYSA-N
Boiling Point
140-142 °C/0.5 mmHg
Flash Point
Not applicable
Purity
97%
Density
0.977 g/mL at 25 °C
Appearance
Colorless to yellow liquid
Refractive Index
1.5

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
294.1824814 g/mol
Monoisotopic Mass
294.1824814 g/mol
Topological Polar Surface Area
46.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
304
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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