Benzenecarbodithioicacid,1,1-dimethylethylester

Inquiry

Molecular Formula:

C11H14S2

Molecular Weight:

210

CAS Number:

5925-55-3

Catalog Number:

5925-55-3

Product Information

Molecular Formula:

C11H14S2

Molecular Weight:

210

Description

Benzenecarbodithioic acid, 1,1-dimethylethyl ester is a bioactive compounds. Its multifarious therapeutic attributes encompass unparalleled antioxidant and anti-inflammatory prowess, thereby rendering it a compelling remedy for debilitating conditions including rheumatoid arthritis, atherosclerosis, and neurodegenerative disorders. It impairs tumor proliferation and triggers apoptosis, thereby exhibiting tantalizing prospects in the realm of cancer therapeutics. By virtue of its remarkable stability and commendable bioavailability, it unfurls remarkable vistas for biomedical innovation and advances in forthcoming drug development initiatives.

Synonyms

Tert-butyl Dithiobenzoate; tert-butyl benzodithioate; t-butyl dithiobenzoate; 2-Methyl-2-propylbenzodithiolate

IUPAC Name

tert-butyl benzenecarbodithioate

Canonical SMILES

CC(C)(C)SC(=S)C1=CC=CC=C1

InChI

InChI=1S/C11H14S2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

InChI Key

NNADJWNJTLVMSL-UHFFFAOYSA-N

Boiling Point

°C / 760 mmHg

Melting Point

°C

Flash Point

°C (C.C)

Purity

95%

Density

g/mL (25 °C)

Computed Properties

XLogP3

3.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

210.05369279 g/mol

Monoisotopic Mass

210.05369279 g/mol

Topological Polar Surface Area

57.4Å²

Heavy Atom Count

Formal Charge

Complexity

173

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

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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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Benzenecarbodithioicacid,1,1-dimethylethylester

Product Information

Computed Properties

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