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96-69-5,MFCD00026287
Catalog No.:AA005T0C

96-69-5 | 4,4'-Thiobis(2-(tert-butyl)-5-methylphenol)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$18.00   $13.00
- +
25g
95%
in stock  
$24.00   $17.00
- +
100g
97%
in stock  
$41.00   $29.00
- +
500g
95%
in stock  
$185.00   $129.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA005T0C
Chemical Name:
4,4'-Thiobis(2-(tert-butyl)-5-methylphenol)
CAS Number:
96-69-5
Molecular Formula:
C22H30O2S
Molecular Weight:
358.5374
MDL Number:
MFCD00026287
SMILES:
CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C
NSC Number:
35388
Properties
Properties
 
BP:
475.6°C at 760 mmHg  
Form:
Solid  
MP:
160-165 °C  
Refractive Index:
1.5200 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
396  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
7.4  

Literature

Title: Investigation of the early-response genes in chemical-induced renal carcinogenicity for the prediction of chemical carcinogenicity in rats.

Journal: The Journal of toxicological sciences 20170101

Title: Synthesis and properties of optically active nanostructured polymers bearing amino acid moieties by direct polycondensation of 4,4'-thiobis(2-tert-butyl-5-methylphenol) with chiral diacids.

Journal: Amino acids 20120601

Title: A proton spin-lattice relaxation rate study of methyl and t-butyl group reorientation in the solid state.

Journal: Solid state nuclear magnetic resonance 20100701

Title: Endocrine disruptive effects of chemicals eluted from nitrile-butadiene rubber gloves using reporter gene assay systems.

Journal: Biological & pharmaceutical bulletin 20080301

Title: Identification of phenolic dermal sensitizers in a wound closure tape.

Journal: Journal of immunotoxicology 20071001

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Male reproductive toxicity of four bisphenol antioxidants in mice and rats and their estrogenic effect.

Journal: Archives of toxicology 20060401

Title: Chemical-induced atrial thrombosis in NTP rodent studies.

Journal: Toxicologic pathology 20050101

Title: Steroid hormone activity of flavonoids and related compounds.

Journal: Breast cancer research and treatment 20000701

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SDS
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Tags:96-69-5 Molecular Formula|96-69-5 MDL|96-69-5 SMILES|96-69-5 4,4'-Thiobis(2-(tert-butyl)-5-methylphenol)