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2,2'-(2-Vinylanthracene-9,10-diylidene)bis(1,3-dithiole)

2,2'-(2-Vinylanthracene-9,10-diylidene)bis(1,3-dithiole)

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Molecular Formula:

C22H14S4

Molecular Weight:

406.59

CAS Number:

736998-56-4

Catalog Number:

736998-56-4

Product Information

Molecular Formula:

C22H14S4

Molecular Weight:

406.59

Description

2,2'-(2-Vinylanthracene-9,10-diylidene)bis(1,3-dithiole) is a novel biosynthetic compound instrumental in oncological research. It has been attributed to mitigating drug resistance in cancer therapy, particularly for anthracycline-resistant tumor cells, thereby contributing to chemotherapy efficacy.

Synonyms

9,10-Bis(1,3-dithiol-2-ylidene)-2-vinylanthracene

IUPAC Name

2-[10-(1,3-dithiol-2-ylidene)-2-ethenylanthracen-9-ylidene]-1,3-dithiole

Canonical SMILES

C=CC1=CC2=C(C=C1)C(=C3SC=CS3)C4=CC=CC=C4C2=C5SC=CS5

InChI

InChI=1S/C22H14S4/c1-2-14-7-8-17-18(13-14)20(22-25-11-12-26-22)16-6-4-3-5-15(16)19(17)21-23-9-10-24-21/h2-13H,1H2

InChI Key

PVHQRJPHCJRMKB-UHFFFAOYSA-N

Purity

>98.0%(GC)

Appearance

Solid

Computed Properties

XLogP3

6.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

405.99783514 g/mol

Monoisotopic Mass

405.99783514 g/mol

Topological Polar Surface Area

101Å²

Heavy Atom Count

Formal Charge

Complexity

694

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)

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2,2'-(2-Vinylanthracene-9,10-diylidene)bis(1,3-dithiole)

Product Information

Computed Properties

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