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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 Weight:
358.54700000000014 g/mol
Names and Synonyms:
4,4′-Thiobis(3-Methyl-6-Tert-Butylphenol)
N 300
2-tert-Butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
AO-TBM 6
Lowinox Rosin 6
K 300
Chinox 300
AO 300
4,4′-Thiobis(6-tert-butyl-m-cresol)
Antioxidant BPS
Antioxidant B 102
TBM 6
4,4′-Thiobis(3-methyl-6-tert-butylphenol)
Irganox 300
AO 1081
Lowinox TBM 6P
4,4′-Thiobis(6-t-butyl-m-cresol)
Durad AX 16
Antioxidant 300
NSC 35388
Ultranox 236
Santonox TBMC
Keminox 236T
Lowinox 44S36
Antigene WX-R
Irganox 415
Lowinox TBM 6
Seenox BCS
4,4′-Thiobis[3-methyl-6-tert-butylphenol]
ZBX 1R
Nonflex BPS-R
Antage Crystal
Sumilizer WX-RC
Antioxidant TMB 6
AO 4
Nonflex BPS
Nocrac 300
Yoshinox S
Santonox R
Sumilizer WX-R
4,4′-Thiobis[6-tert-butyl-m-cresol]
Yoshinox SR
Santonox BM
4,4′-Bis(6-tert-butyl-m-cresol) sulfide
Sumilizer WX
Thioalkofen BM 4
Bis(5-tert-butyl-4-hydroxy-2-methylphenyl) sulfide
Thioalkofen MBCh
Thioalkofen BM
2,2′-Di-tert-butyl-5,5′-dimethyl-4,4′-thiodiphenol
Thioalkofen BMCh
Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl) sulfide
4,4′-Thiobis[2-tert-butyl-5-methylphenol]
Bis(2-methyl-4-hydroxy-5-tert-butylphenyl) sulfide
4,4′-Thiobis[2-(1,1-dimethylethyl)-5-methylphenol]
m-Cresol, 4,4′-thiobis[6-tert-butyl-
Phenol, 4,4′-thiobis[2-(1,1-dimethylethyl)-5-methyl-
1,1′-Thiobis(2-methyl-4-hydroxy-5-tert-butyl)benzene
4,4′-Thiobis[6-tert-butyl-3-methylphenol]
Santowhite Crystals
Santonox
Disperse MB 61
Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide
Bis(3-tert-butyl-4-hydroxy-6-methylphenyl) sulfide
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 358.55 g/mol | Legacy Database |
| cas-canonical-smile | OC=1C=C(C(SC2=CC(=C(O)C=C2C)C(C)(C)C)=CC1C(C)(C)C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=HXIQYSLFEXIOAV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 150 °C None | Legacy Database |
| cas-name | 4,4′-Thiobis(3-methyl-6-tert-butylphenol) None | Legacy Database |
| LogP | 6.4608400000000055 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 358.54700000000014 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 358.19665119999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 107.21060000000006 | RDKit |
