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Molecule
4,4′-Thiobis(3-Methyl-6-Tert-Butylphenol)
CAS: 96-69-5 · C22H30O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 96-69-5
- Molecular Formula
- C22H30O2S
- Molecular Mass
- 358.55 g/mol
Identifiers
CAS Registry Number
96-69-5
SMILES
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C
InChI Key
HXIQYSLFEXIOAV-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Thiobis(3-Methyl-6-Tert-Butylphenol) Systematic Name
- Bis(3-tert-butyl-4-hydroxy-6-methylphenyl) sulfide Synonym
- Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide Synonym
- Disperse MB 61 Synonym
- Santonox Synonym
- Santowhite Crystals Synonym
- 4,4′-Thiobis[6-tert-butyl-3-methylphenol] Synonym
- 1,1′-Thiobis(2-methyl-4-hydroxy-5-tert-butyl)benzene Synonym
- Phenol, 4,4′-thiobis[2-(1,1-dimethylethyl)-5-methyl- Synonym
- m-Cresol, 4,4′-thiobis[6-tert-butyl- Synonym
- 4,4′-Thiobis[2-(1,1-dimethylethyl)-5-methylphenol] Synonym
- Bis(2-methyl-4-hydroxy-5-tert-butylphenyl) sulfide Synonym
- 4,4′-Thiobis[2-tert-butyl-5-methylphenol] Synonym
- Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl) sulfide Synonym
- Thioalkofen BMCh Synonym
- 2,2′-Di-tert-butyl-5,5′-dimethyl-4,4′-thiodiphenol Synonym
- Thioalkofen BM Synonym
- Thioalkofen MBCh Synonym
- Bis(5-tert-butyl-4-hydroxy-2-methylphenyl) sulfide Synonym
- Thioalkofen BM 4 Synonym
- Sumilizer WX Synonym
- 4,4′-Bis(6-tert-butyl-m-cresol) sulfide Synonym
- Santonox BM Synonym
- Yoshinox SR Synonym
- 4,4′-Thiobis[6-tert-butyl-m-cresol] Synonym
- Sumilizer WX-R Synonym
- Santonox R Synonym
- Yoshinox S Synonym
- Nocrac 300 Synonym
- Nonflex BPS Synonym
- AO 4 Synonym
- Antioxidant TMB 6 Synonym
- Sumilizer WX-RC Synonym
- Antage Crystal Synonym
- Nonflex BPS-R Synonym
- ZBX 1R Synonym
- 4,4′-Thiobis[3-methyl-6-tert-butylphenol] Synonym
- N 300 Synonym
- Seenox BCS Synonym
- Lowinox TBM 6 Synonym
- Irganox 415 Synonym
- Antigene WX-R Synonym
- Lowinox 44S36 Synonym
- Keminox 236T Synonym
- Santonox TBMC Synonym
- Ultranox 236 Synonym
- NSC 35388 Synonym
- Antioxidant 300 Synonym
- Durad AX 16 Synonym
- 4,4′-Thiobis(6-t-butyl-m-cresol) Synonym
- Lowinox TBM 6P Synonym
- AO 1081 Synonym
- Irganox 300 Synonym
- 4,4′-Thiobis(3-methyl-6-tert-butylphenol) Synonym
- TBM 6 Synonym
- Antioxidant B 102 Synonym
- Antioxidant BPS Synonym
- 4,4′-Thiobis(6-tert-butyl-m-cresol) Synonym
- AO 300 Synonym
- Chinox 300 Synonym
- K 300 Synonym
- Lowinox Rosin 6 Synonym
- AO-TBM 6 Synonym
- 2-tert-Butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 358.55 g/mol | CAS Common Chemistry |
| 358.54700000000014 g/mol | RDKit | |
| 358.547 g/mol | RDKit | |
| 360.433 g/mol | chempirical lib | |
| 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 |
| 6.4608 | RDKit | |
| Molar Refractivity | 107.21060000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| Exact Mass | 358.19665119999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 358.55 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C22H30O2S.
