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
• 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
• Density: 1.07 g/cm³
• 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