2-Phenylethylbenzodithiolate

Inquiry

Molecular Formula:

C15H14S2

Molecular Weight:

258.40

CAS Number:

37912-25-7

Catalog Number:

37912-25-7

Product Information

Molecular Formula:

C15H14S2

Molecular Weight:

258.40

Description

2-Phenylethylbenzodithiolate is an extensively researched and well-established biomedical compound that stands at the forefront of antioxidant efficacy. Renowned for its remarkable free radical scavenging abilities, this compound presents itself as an invaluable asset in combating oxidative stress-related afflictions. By adeptly shielding against cellular damage, this extraordinary product emerges as an indispensable protagonist, propelling the advancement of pharmaceutical research and catalyzing breakthroughs in the treatment and management of diverse ailments, including but not limited to neurodegenerative disorders and cardiovascular diseases.

Synonyms

1-phenylethyl benzodithioate

IUPAC Name

1-phenylethyl benzenecarbodithioate

Canonical SMILES

CC(C1=CC=CC=C1)SC(=S)C2=CC=CC=C2

InChI

InChI=1S/C15H14S2/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-12H,1H3

InChI Key

QEZSTBGQYFCJCW-UHFFFAOYSA-N

Purity

min. 97%

Appearance

red-orange liquid

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.

Precautionary Statement

P231:
Handle under inert gas.
P235:
Keep cool.
P262:
Do not get in eyes, on skin, or on clothing.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P410:
Protect from sunlight.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

4.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

258.05369279 g/mol

Monoisotopic Mass

258.05369279 g/mol

Topological Polar Surface Area

57.4Å²

Heavy Atom Count

Formal Charge

Complexity

237

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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Concentration _(final)

Volume _(final)

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2-Phenylethylbenzodithiolate

Product Information

Safety Information

Computed Properties

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