2,5-Bis(methylthio)benzene-1,4-diamine

Inquiry

Molecular Formula:

C8H12N2S2

Molecular Weight:

200.32

CAS Number:

1678513-93-3

Catalog Number:

1678513-93-3

Product Information

Molecular Formula:

C8H12N2S2

Molecular Weight:

200.32

Synonyms

2,5-bis(methylsulfanyl)benzene-1,4-diamine; 1,4-Benzenediamine, 2,5-bis(methylthio)

IUPAC Name

2,5-bis(methylsulfanyl)benzene-1,4-diamine

Canonical SMILES

CSC1=CC(=C(C=C1N)SC)N

InChI

InChI=1S/C8H12N2S2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,9-10H2,1-2H3

InChI Key

SZNJCOFPTHFIEU-UHFFFAOYSA-N

Purity

98%

Computed Properties

XLogP3

1.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

200.04419074

Monoisotopic Mass

200.04419074

Topological Polar Surface Area

103

Heavy Atom Count

Formal Charge

Complexity

127

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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2,5-Bis(methylthio)benzene-1,4-diamine

Product Information

Computed Properties

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