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2,2′-Thiobis(4-Methyl-6-Tert-Butylphenol)
CAS: 90-66-4 | C22H30O2S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
90-66-4
Molecular Formula:
C22H30O2S
Molecular Mass:
358.55 g/mol
Names and Synonyms:
2,2′-Thiobis(4-Methyl-6-Tert-Butylphenol)
Phenol, 2,2′-thiobis[6-(1,1-dimethylethyl)-4-methyl-
p-Cresol, 2,2′-thiobis[6-tert-butyl-
2,2′-Thiobis[6-(1,1-dimethylethyl)-4-methylphenol]
Advastab 406
Bis(5-methyl-3-tert-butyl-2-hydroxyphenyl) sulfide
Thioalkofen BP
2,2′-Thiobis(6-tert-butyl-p-cresol)
2,2′-Thiobis(6-tert-butyl-4-methylphenol)
Bis(5-methyl-3-tert-butyl-2-hydroxyphenyl) monosulfide
CAO 6
2,2′-Thiobis(4-methyl-6-tert-butylphenol)
Thioalkophene BP
Bis(3-tert-butyl-2-hydroxy-5-methylphenyl) sulfide
Bis(5-methyl-3-tert-butyl-2-oxyphenyl) monosulfide
CAO 4
SAO 6
Irganox 1081
2,2′-Dihydroxy-3,3′-di-tert-butyl-5,5′-dimethyldiphenyl sulfide
Bis(2-hydroxy-3-tert-butyl-5-methylphenyl) sulfide
Keminox 246T
Lowinox TBP 6
NSC 67488
Irganox 1081FF
Durad AX 18
2,2′-Thiobis(4-methyl-6-t-butylphenol)
Antioxidant 2246S
2246S
2,2′-Thiobis(6-tert-butyl-p-cresol)
2,2′-Thiobis(6-tert-butyl-4- methylphenol)
2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
Identifiers:
SMILES:
Cc1cc(Sc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChI:
InChI=1S/C22H30O2S/c1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8/h9-12,23-24H,1-8H3
Key Properties
Melting Point
84-85 °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 | 358.55 g/mol | CAS Common Chemistry |
| 358.54700000000014 g/mol | RDKit | |
| 358.19665119999996 g/mol | RDKit | |
| Canonical SMILES | OC1=C(SC=2C=C(C=C(C2O)C(C)(C)C)C)C=C(C=C1C(C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H30O2S/c1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8/h9-12,23-24H,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MQWCQFCZUNBTCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84-85 °C | CAS Common Chemistry |
| Name | 2,2′-Thiobis(4-methyl-6-tert-butylphenol) | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 6.460840000000006 | RDKit |
| Molar Refractivity | 107.21060000000006 | RDKit |
