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4,4′-Thiobis(3-Methyl-6-Tert-Butylphenol)
CAS: 96-69-5 | C22H30O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-69-5
Molecular Formula:
C22H30O2S
Molecular Mass:
358.55 g/mol
Names and Synonyms:
4,4′-Thiobis(3-Methyl-6-Tert-Butylphenol)
Bis(3-tert-butyl-4-hydroxy-6-methylphenyl) sulfide
Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide
Disperse MB 61
Santonox
Santowhite Crystals
4,4′-Thiobis[6-tert-butyl-3-methylphenol]
1,1′-Thiobis(2-methyl-4-hydroxy-5-tert-butyl)benzene
Phenol, 4,4′-thiobis[2-(1,1-dimethylethyl)-5-methyl-
m-Cresol, 4,4′-thiobis[6-tert-butyl-
4,4′-Thiobis[2-(1,1-dimethylethyl)-5-methylphenol]
Bis(2-methyl-4-hydroxy-5-tert-butylphenyl) sulfide
4,4′-Thiobis[2-tert-butyl-5-methylphenol]
Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl) sulfide
Thioalkofen BMCh
2,2′-Di-tert-butyl-5,5′-dimethyl-4,4′-thiodiphenol
Thioalkofen BM
Thioalkofen MBCh
Bis(5-tert-butyl-4-hydroxy-2-methylphenyl) sulfide
Thioalkofen BM 4
Sumilizer WX
4,4′-Bis(6-tert-butyl-m-cresol) sulfide
Santonox BM
Yoshinox SR
4,4′-Thiobis[6-tert-butyl-m-cresol]
Sumilizer WX-R
Santonox R
Yoshinox S
Nocrac 300
Nonflex BPS
AO 4
Antioxidant TMB 6
Sumilizer WX-RC
Antage Crystal
Nonflex BPS-R
ZBX 1R
4,4′-Thiobis[3-methyl-6-tert-butylphenol]
N 300
Seenox BCS
Lowinox TBM 6
Irganox 415
Antigene WX-R
Lowinox 44S36
Keminox 236T
Santonox TBMC
Ultranox 236
NSC 35388
Antioxidant 300
Durad AX 16
4,4′-Thiobis(6-t-butyl-m-cresol)
Lowinox TBM 6P
AO 1081
Irganox 300
4,4′-Thiobis(3-methyl-6-tert-butylphenol)
TBM 6
Antioxidant B 102
Antioxidant BPS
4,4′-Thiobis(6-tert-butyl-m-cresol)
AO 300
Chinox 300
K 300
Lowinox Rosin 6
AO-TBM 6
2-tert-Butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
Identifiers:
SMILES:
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C
InChI:
InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
Key Properties
Melting Point
150 °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 | OC=1C=C(C(SC2=CC(=C(O)C=C2C)C(C)(C)C)=CC1C(C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HXIQYSLFEXIOAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150 °C | CAS Common Chemistry |
| Name | 4,4′-Thiobis(3-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 | 6.4608400000000055 | RDKit |
| Molar Refractivity | 107.21060000000006 | RDKit |
