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2,4-bis-(Octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine

2,4-bis-(Octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine

Inquiry

Molecular Formula:

C33H56N4OS2

Molecular Weight:

588.95

CAS Number:

991-84-4

Catalog Number:

991-84-4

Product Information

Molecular Formula:

C33H56N4OS2

Molecular Weight:

588.95

Description

4-((4,6-bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-di-tert-butylphenol is a member of triazines.

Synonyms

2,4-bis-(Octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine; AO 565

IUPAC Name

4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol

Canonical SMILES

CCCCCCCCSC1=NC(=NC(=N1)NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCCCCCCCC

InChI

InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37)

InChI Key

QRLSTWVLSWCGBT-UHFFFAOYSA-N

Melting Point

95 °C

Flash Point

359.4°C

Purity

>98.0%(HPLC)(N)

Density

1.07 g/cm3

Appearance

White to Almost white powder to crystal

Refractive Index

1.558

Computed Properties

XLogP3

13.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

588.38955477 g/mol

Monoisotopic Mass

588.38955477 g/mol

Topological Polar Surface Area

122Å²

Heavy Atom Count

Formal Charge

Complexity

603

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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2,4-bis-(Octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine

Product Information

Computed Properties

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