2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine

• CAS: 991-84-4
• Catalog Number: ACM991844
• Category: Other Products
• Molecular Weight: 589g/mol
• Molecular Formula: C33H56N4OS2
• Description: Liquid; OtherSolid; PelletsLargeCrystals
• 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
• 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
• Density: 1.07 g/cm³
• Application: The purpose of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine is to function as a highly effective antioxidant that plays a crucial role in maintaining the integrity and appearance of unsaturated elastomers. By preventing gel formation and changes in molecular weight, it ensures excellent polymer color stability. This product is effective even at low concentrations, often matching or exceeding the performance of other stabilizers at higher levels, while exhibiting low volatility and non-staining properties. Its low melting point facilitates easy dispersion in elastomeric substrates through melt compounding techniques. Additionally, it can be seamlessly incorporated into processing streams by dissolving in suitable organic solvents or aromatic extender oils. Primarily used in a range of elastomers such as polybutadiene, polyisoprene, and styrene-butadiene rubber, this multifunctional blocked phenolic antioxidant protects materials from thermal oxidation during production, processing, and final use. It also serves as an excellent resin antioxidant and photothermal stabilizer with high color fastness and can be utilized in a variety of products, including adhesives, natural and synthetic viscosifying resins, EPDM, ABS, impact-resistant polystyrene, polyamide, and polyolefin.
• Complexity: 603
• Covalently-Bonded Unit Count: 1
• EC Number: 213-590-1
• Exact Mass: 588.389555g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 2
• Heavy Atom Count: 40
• Monoisotopic Mass: 588.389555g/mol
• NSC Number: 328455
• Rotatable Bond Count: 20
• UNII: O1Q826IX7H
• XLogP3: 13.4

Custom Q&A

What is the molecular formula of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine?

The molecular formula of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine is C33H56N4OS2.

What is the molecular weight of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine?

The molecular weight of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine is 589.0 g/mol.

What are the synonyms of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine?

The synonyms of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine are 991-84-4, 4-((4,6-Bis(octylthio)-1,3,5-triazin-2-yl)amino)-2,6-di-tert-butylphenol, Irganox 565, Irganox RA 565.

What is the InChIKey of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine?

The InChIKey of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine is QRLSTWVLSWCGBT-UHFFFAOYSA-N.

What is the XLogP3-AA value of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine?

The XLogP3-AA value of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine is 13.4.

How many hydrogen bond donor counts does 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine have?

2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine have?

2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine has 7 hydrogen bond acceptor counts.

How many rotatable bond counts does 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine have?

2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine has 20 rotatable bond counts.

What is the topological polar surface area of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine?

The topological polar surface area of 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine is 122 ?2.

How many heavy atom counts does 2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine have?

2,4-Bis-(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-1,3,5-triazine has 40 heavy atom counts.

Synthetic Use

Upstream Synthesis Route 1

• 950-58-3
• 978-66-5

• 991-84-4

Reference: [1]Patent: CN109651280,2019,A .Location in patent: Paragraph 0046; 0053; 0054; 0055; 0062; 0063; 0064; 0071