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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 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.

External Resources

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

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