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4,4',4'',4'''-([2,2'-Bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayl)tetraaniline

4,4',4'',4'''-([2,2'-Bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayl)tetraaniline

Inquiry

Molecular Formula:

C30H24N4S4

Molecular Weight:

568.79

CAS Number:

2413296-69-0

Catalog Number:

2413296-69-0

Product Information

Molecular Formula:

C30H24N4S4

Molecular Weight:

568.79

Synonyms

4,4,4,4-([2,2-bi(1,3-dithiolylidene)]-4,4,5,5-tetrayl)tetraaniline

IUPAC Name

4-[5-(4-aminophenyl)-2-[4,5-bis(4-aminophenyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]aniline

Canonical SMILES

C1=CC(=CC=C1C2=C(SC(=C3SC(=C(S3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)N)S2)C6=CC=C(C=C6)N)N

InChI

InChI=1S/C30H24N4S4/c31-21-9-1-17(2-10-21)25-26(18-3-11-22(32)12-4-18)36-29(35-25)30-37-27(19-5-13-23(33)14-6-19)28(38-30)20-7-15-24(34)16-8-20/h1-16H,31-34H2

InChI Key

XKJBXSCILQAQMW-UHFFFAOYSA-N

Boiling Point

786.7±60.0 °C at 760 mmHg

Purity

97%

Density

1.486±0.06 g/cm3

Safety Information

Hazards

H302-H315-H319-H335

Precautionary Statement

P261-P280-P301+P312-P302+P352-P305+P351+P338

GHS Pictogram

GHS07

Signal Word

Warning

Computed Properties

XLogP3

6.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

568.08838148

Monoisotopic Mass

568.08838148

Topological Polar Surface Area

205

Heavy Atom Count

Formal Charge

Complexity

797

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',4'',4'''-([2,2'-Bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayl)tetraaniline

Product Information

Safety Information

Computed Properties

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