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96-66-2,MFCD00008823
Catalog No.:AA005T0S

96-66-2 | 4,4'-Thiobis(6-tert-butyl-o-cresol)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$162.00   $114.00
- +
5g
98%
in stock  
$615.00 $430.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005T0S
Chemical Name:
4,4'-Thiobis(6-tert-butyl-o-cresol)
CAS Number:
96-66-2
Molecular Formula:
C22H30O2S
Molecular Weight:
358.5374
MDL Number:
MFCD00008823
SMILES:
Cc1cc(Sc2cc(C)c(c(c2)C(C)(C)C)O)cc(c1O)C(C)(C)C
NSC Number:
58409
Properties
Properties
 
BP:
488°C at 760 mmHg  
Form:
Solid  
MP:
127°C  
Refractive Index:
1.5200 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
396  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
7.4  

Downstream Synthesis Route

[1]Jirackova,L.;Pospisil,J.[CollectionofCzechoslovakChemicalCommunications,1974,vol.39,p.2792-2795]

[1]Paulon,DanielaE.;Coronel,MartaE.J.[JournaloftheChemicalSociety.PerkinTransactions2(2001),1998,#4,p.885-888]

[2]Amorati,Riccardo;Fumo,MariaGrazia;Menichetti,Stefano;Mugnaini,Veronica;Pedulli,GianFranco[JournalofOrganicChemistry,2006,vol.71,#17,p.6325-6332]

[1]Paulon,DanielaE.;Coronel,MartaE.J.[JournaloftheChemicalSociety.PerkinTransactions2(2001),1998,#4,p.885-888]

Literature
Quotation Request
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SDS
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Tags:96-66-2 Molecular Formula|96-66-2 MDL|96-66-2 SMILES|96-66-2 4,4'-Thiobis(6-tert-butyl-o-cresol)
Catalog No.: AA005T0S
96-66-2,MFCD00008823
96-66-2 | 4,4'-Thiobis(6-tert-butyl-o-cresol)
Pack Size： 1g
Purity： 98%
in stock
$162.00 $114.00
Pack Size： 5g
Purity： 98%
in stock
$615.00 $430.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005T0S
Chemical Name: 4,4'-Thiobis(6-tert-butyl-o-cresol)
CAS Number: 96-66-2
Molecular Formula: C22H30O2S
Molecular Weight: 358.5374
MDL Number: MFCD00008823
SMILES: Cc1cc(Sc2cc(C)c(c(c2)C(C)(C)C)O)cc(c1O)C(C)(C)C
NSC Number: 58409
Properties
BP: 488°C at 760 mmHg  
Form: Solid  
MP: 127°C  
Refractive Index: 1.5200 (estimate)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 396  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 7.4  
Downstream Synthesis Route
96-66-2    77-78-1    54519-54-9 

[1]Jirackova,L.;Pospisil,J.[CollectionofCzechoslovakChemicalCommunications,1974,vol.39,p.2792-2795]

96-66-2    40190-57-6 

[1]Paulon,DanielaE.;Coronel,MartaE.J.[JournaloftheChemicalSociety.PerkinTransactions2(2001),1998,#4,p.885-888]

[2]Amorati,Riccardo;Fumo,MariaGrazia;Menichetti,Stefano;Mugnaini,Veronica;Pedulli,GianFranco[JournalofOrganicChemistry,2006,vol.71,#17,p.6325-6332]

40190-57-6    96-66-2 

[1]Paulon,DanielaE.;Coronel,MartaE.J.[JournaloftheChemicalSociety.PerkinTransactions2(2001),1998,#4,p.885-888]

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