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2,4-Bis-(N-Octylthio)-6-(4-Hydroxy-3′,5′-Di-Tert-Butylanilino)-1,3,5-Triazine
CAS: 991-84-4 | C33H56N4OS2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
991-84-4
Molecular Formula:
C33H56N4OS2
Molecular Mass:
588.97 g/mol
Names and Synonyms:
2,4-Bis-(N-Octylthio)-6-(4-Hydroxy-3′,5′-Di-Tert-Butylanilino)-1,3,5-Triazine
Phenol, 4-[[4,6-bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)-
Phenol, 4-[[4,6-bis(octylthio)-s-triazin-2-yl]amino]-2,6-di-tert-butyl-
4-[[4,6-Bis(octylthio)-1,3,5-triazin-2-yl]amino]-2,6-bis(1,1-dimethylethyl)phenol
2,4-Bis-(n-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
2,4-Bis(octylthio)-6-(4-hydroxy-3,5-di-tert-butylanilino)-s-triazine
Irganox 565
Irganox RA 565
2-(4-Hydroxy-3,5-di-tert-butylanilino)-4,6-bis(octylthio)-1,3,5-triazine
6-(4-Hydroxy-3,5-di-tert-butylanilino)-2,4-bis(octylthio)-s-triazine
6-(3,5-di-tert-Butyl-4-hydroxyanilino)-2,4-bis(n-octylthio)-s-triazine
2,4-Bis(n-octylthio)-6-(3,5-di-tert-butyl-4-hydroxyphenylamino)-s-triazine
2-(4-Hydroxy-3,5-di-tert-butylanilino)-4,6-di(octylthio)-s-triazine
2-(4-Hydroxy-3,5-di-tert-butylanilino)-4,6-bis(octylthio)-s-triazine
6-(4-Hydroxy-3,5-di-tert-butylanilino)-2,4-bis(n-octylthio)-1,3,5-triazine
6-(3,5-Di-tert-butyl-4-hydroxyanilino)-2,4-bis(octylthio)-s-triazine
2,4-Bis(octylthio)-6-(3,5-di-tert-butyl-4-hydroxyanilino)-s-triazine
1-(3,5-Di-tert-butyl-4-hydroxyanilino)-3,5-bis(octylthio)-s-triazine
6-(4-Hydroxy-3,5-di-tert-butylanilino)-2,4-bis(octylthio)-1,3,5-triazine
2,4-Bis(octylthio)-6-(4′-hydroxy-3′,5′-di-tert-butylanilino)-1,3,5-triazine
NSC 328455
2,6-Di-tert-butyl-4-[4,6-bis(octylthio)-1,3,5-triazin-2-ylamino]phenol
2,4-Bis-(n-octylthio)-6-(4-hydroxy-3′,5′-di-tert-butylanilino)-1,3,5-triazine
Tinogard MD 1
Antioxidant 565
2,4-Bis(n-octylthio)-6-(4′-hydroxy-3′,5′-di-tert-butylanilino)-1,3,5-triazine
Eunox AO 565
BNX 565
BOTAP
4-[[4,6-Bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-di-tert-butylphenol
Irgafos 565
Identifiers:
SMILES:
CCCCCCCCSc1nc(=Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SCCCCCCCC)[nH]1
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)
Key Properties
Melting Point
92-95 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 588.97 g/mol | CAS Common Chemistry |
| 588.9720000000001 g/mol | RDKit | |
| 588.3895544119999 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(=CC1C(C)(C)C)NC=2N=C(N=C(N2)SCCCCCCCC)SCCCCCCCC)C(C)(C)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=QRLSTWVLSWCGBT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92-95 °C | CAS Common Chemistry |
| Name | 2,4-Bis-(n-octylthio)-6-(4-hydroxy-3′,5′-di-tert-butylanilino)-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.16 Ų | RDKit |
| LogP | 10.242899999999997 | RDKit |
| Molar Refractivity | 175.31249999999952 | RDKit |
