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2546-45-4,MFCD01320776
Catalog No.:AA007MXA

2546-45-4 | 4-Trifluoromethoxythioanisole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98
in stock  
$35.00   $24.00
- +
1g
98%
in stock  
$45.00   $32.00
- +
5g
98%
in stock  
$80.00   $56.00
- +
10g
98%
in stock  
$135.00   $95.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007MXA
Chemical Name:
4-Trifluoromethoxythioanisole
CAS Number:
2546-45-4
Molecular Formula:
C8H7F3OS
Molecular Weight:
208.2008
MDL Number:
MFCD01320776
SMILES:
CSc1ccc(cc1)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
152  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
3.6  

Downstream Synthesis Route
2-methyl-1-butanethiol 
  2546-45-4   
(2-methylbutyl)(4-(trifluoromethoxy)phenyl)sulfane 

[1]CurrentPatentAssignee:EVONIKINDUSTRIESAG-WO2018/162364,2018,A1Locationinpatent:Page/Pagecolumn9;12;13

2546-45-4   
C8H7F3O2S 

[1]Liu,Shiwen;Chen,Bocheng;Yang,Yi;Yang,Yuhao;Chen,Qianjin;Zeng,Xiaojun;Xu,Bo[ElectrochemistryCommunications,2019,vol.109]

2546-45-4   
1-(methylsulfonyl)-4-(trifluoromethoxy)benzene 

[1]Liu,Shiwen;Chen,Bocheng;Yang,Yi;Yang,Yuhao;Chen,Qianjin;Zeng,Xiaojun;Xu,Bo[ElectrochemistryCommunications,2019,vol.109]

1569-69-3    2546-45-4   
cyclohexyl(4-(trifluoromethoxy)phenyl)sulfane 

[1]Delcaillau,Tristan;Bismuto,Alessandro;Lian,Zhong;Morandi,Bill[AngewandteChemie-InternationalEdition,2020,vol.59,#5,p.2110-2114][Angew.Chem.,2020,vol.132,#5,p.2126-2131,6]

[1]Miao,Ren-Guan;Qi,Xinxin;Wu,Xiao-Feng[EuropeanJournalofOrganicChemistry,2021,vol.2021,#37,p.5219-5221]

Literature
Quotation Request
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SDS
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Tags:2546-45-4 Molecular Formula|2546-45-4 MDL|2546-45-4 SMILES|2546-45-4 4-Trifluoromethoxythioanisole
Catalog No.: AA007MXA
2546-45-4,MFCD01320776
2546-45-4 | 4-Trifluoromethoxythioanisole
Pack Size： 250mg
Purity： 98
in stock
$35.00 $24.00
Pack Size： 1g
Purity： 98%
in stock
$45.00 $32.00
Pack Size： 5g
Purity： 98%
in stock
$80.00 $56.00
Pack Size： 10g
Purity： 98%
in stock
$135.00 $95.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA007MXA
Chemical Name: 4-Trifluoromethoxythioanisole
CAS Number: 2546-45-4
Molecular Formula: C8H7F3OS
Molecular Weight: 208.2008
MDL Number: MFCD01320776
SMILES: CSc1ccc(cc1)OC(F)(F)F
Properties
Complexity: 152  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 5  
Rotatable Bond Count: 2  
XLogP3: 3.6  
Downstream Synthesis Route
2-methyl-1-butanethiol 
  2546-45-4   
(2-methylbutyl)(4-(trifluoromethoxy)phenyl)sulfane 

[1]CurrentPatentAssignee:EVONIKINDUSTRIESAG-WO2018/162364,2018,A1Locationinpatent:Page/Pagecolumn9;12;13

2546-45-4   
C8H7F3O2S 

[1]Liu,Shiwen;Chen,Bocheng;Yang,Yi;Yang,Yuhao;Chen,Qianjin;Zeng,Xiaojun;Xu,Bo[ElectrochemistryCommunications,2019,vol.109]

2546-45-4   
1-(methylsulfonyl)-4-(trifluoromethoxy)benzene 

[1]Liu,Shiwen;Chen,Bocheng;Yang,Yi;Yang,Yuhao;Chen,Qianjin;Zeng,Xiaojun;Xu,Bo[ElectrochemistryCommunications,2019,vol.109]

1569-69-3    2546-45-4   
cyclohexyl(4-(trifluoromethoxy)phenyl)sulfane 

[1]Delcaillau,Tristan;Bismuto,Alessandro;Lian,Zhong;Morandi,Bill[AngewandteChemie-InternationalEdition,2020,vol.59,#5,p.2110-2114][Angew.Chem.,2020,vol.132,#5,p.2126-2131,6]

616-38-6    94108-56-2    2546-45-4 

[1]Miao,Ren-Guan;Qi,Xinxin;Wu,Xiao-Feng[EuropeanJournalofOrganicChemistry,2021,vol.2021,#37,p.5219-5221]

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