4,6-Bis (octylthiomethyl)-o-cresol

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Molecular Formula:

C25H44OS2

Molecular Weight:

424.75

CAS Number:

110553-27-0

Catalog Number:

110553-27-0

Product Information

Molecular Formula:

C25H44OS2

Molecular Weight:

424.75

Description

4,6-Bis (octylthiomethyl)-o-cresol is a biomedical product used for its antioxidant properties. It demonstrates potential as a therapeutic agent in treating oxidative stress-related diseases, such as neurodegenerative disorders and cardiovascular diseases.

Synonyms

4,6-Bis (octylthiomethyl)-o-cresol; 2-Methyl-4,6-bis(octylsulfanylmethyl)phenol; 2,4-bis-(Octylthiomethyl)-6-methylphenol

IUPAC Name

2-methyl-4,6-bis(octylsulfanylmethyl)phenol

Canonical SMILES

CCCCCCCCSCC1=CC(=C(C(=C1)CSCCCCCCCC)O)C

InChI

InChI=1S/C25H44OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-19,26H,4-17,20-21H2,1-3H3

InChI Key

GAODDBNJCKQQDY-UHFFFAOYSA-N

Boiling Point

532.2ºC at 760 mmHg

Flash Point

258 °C

Purity

95%

Density

0.99 g/cm3

Appearance

white、Pale yellow oily liquid or crystalline

Computed Properties

XLogP3

9.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

424.28335837 g/mol

Monoisotopic Mass

424.28335837 g/mol

Topological Polar Surface Area

70.8Å²

Heavy Atom Count

Formal Charge

Complexity

337

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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4,6-Bis (octylthiomethyl)-o-cresol

Product Information

Computed Properties

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