4 4 5 5-TETRAMETHYL-2-PHENYLSULFANYLMET&

Inquiry

Molecular Formula:

C13H19BO2S

Molecular Weight:

250.16

CAS Number:

66080-23-7

Catalog Number:

66080-23-7

Product Information

Molecular Formula:

C13H19BO2S

Molecular Weight:

250.16

Description

4 4 5 5-TETRAMETHYL-2-PHENYLSULFANYLMET is a biomedical compound used as a reagent in various research and analytical applications. Its unique structure and properties make it suitable for drug development targeting specific diseases, such as cancer and diabetes. It can also be used as a precursor in the synthesis of pharmaceutical compounds with potential therapeutic benefits.

Synonyms

4 4 5 5-TETRAMETHYL-2-PHENYLSULFANYLMET&; Phenylthiomethylboronic acid pinacol ester

IUPAC Name

4,4,5,5-tetramethyl-2-(phenylsulfanylmethyl)-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)CSC2=CC=CC=C2

InChI

InChI=1S/C13H19BO2S/c1-12(2)13(3,4)16-14(15-12)10-17-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3

InChI Key

DGPGLPBMZOKGON-UHFFFAOYSA-N

Boiling Point

105-108 °C/0.1 mmHg (lit.)

Flash Point

Not applicable

Purity

97%

Density

1.059 g/mL at 25 °C(lit.)

Refractive Index

n20/D 1.5280 (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

250.1198812 g/mol

Monoisotopic Mass

250.1198812 g/mol

Topological Polar Surface Area

43.8Å²

Heavy Atom Count

Formal Charge

Complexity

246

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 5 5-TETRAMETHYL-2-PHENYLSULFANYLMET&

Product Information

Computed Properties

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