2,5-Bis(prop-2-yn-1-yloxy)terephthalohydrazide

Inquiry

Molecular Formula:

C14H14N4O4

Molecular Weight:

302.29

Product Information

Molecular Formula:

C14H14N4O4

Molecular Weight:

302.29

Synonyms

4,4'-[oxybis(benzene-4,1-diylsulfanediyl)]dibenzene-1,2-dicarbonitrile; 4,4'-[Oxybis(4,1-phenylenethio)]diphthalonitrile; 4-[(4-{4-[(3,4-dicyanophenyl)thio]phenoxy}phenyl)thio]phthalonitrile

IUPAC Name

4-[4-[4-(3,4-dicyanophenyl)sulfanylphenoxy]phenyl]sulfanylbenzene-1,2-dicarbonitrile

Canonical SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)SC3=CC(=C(C=C3)C#N)C#N)SC4=CC(=C(C=C4)C#N)C#N

InChI

InChI=1S/C28H14N4OS2/c29-15-19-1-7-27(13-21(19)17-31)34-25-9-3-23(4-10-25)33-24-5-11-26(12-6-24)35-28-8-2-20(16-30)22(14-28)18-32/h1-14H

InChI Key

KGVNFTGFYYIPNJ-UHFFFAOYSA-N

Purity

98%

Computed Properties

XLogP3

6.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

486.06090343

Monoisotopic Mass

486.06090343

Topological Polar Surface Area

155

Heavy Atom Count

Formal Charge

Complexity

828

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

Patents

Publication Number	Title	Priority Date
RU-2164513-C1	4,4'-(oxybis-(para-phenylenethio))-diphthalonitrile	1999-12-27

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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2,5-Bis(prop-2-yn-1-yloxy)terephthalohydrazide

Product Information

Computed Properties

Patents

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