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13205-51-1,MFCD16692411
Catalog No.:AA00HSJ8

13205-51-1 | 4-(tert-Butylsulfanyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$211.00   $148.00
- +
1g
98%
in stock  
$544.00   $381.00
- +
5g
98%
in stock  
$2,140.00   $1,498.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00HSJ8
Chemical Name:
4-(tert-Butylsulfanyl)benzoic acid
CAS Number:
13205-51-1
Molecular Formula:
C11H14O2S
Molecular Weight:
210.2927
MDL Number:
MFCD16692411
SMILES:
OC(=O)c1ccc(cc1)SC(C)(C)C
Properties
Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.7  

Downstream Synthesis Route
3019-19-0    124-38-9    7611-60-1    13205-51-1   
3-(2-methyl-2-propylsulfanyl)benzoicacid 

[1]Babin,D.;Fourneron,J.D.;Harwood,L.M.;Julia,M.[Tetrahedron,1981,vol.37,p.325-332]

[2]Babin,D.;Fourneron,J.D.;Harwood,L.M.;Julia,M.[Tetrahedron,1981,vol.37,p.325-332]

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2012/112743,2012,A1Locationinpatent:Page/Pagecolumn157

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2012/196869,2012,A1Locationinpatent:Paragraph0383;0384;0385

Literature
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SDS
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Tags:13205-51-1 Molecular Formula|13205-51-1 MDL|13205-51-1 SMILES|13205-51-1 4-(tert-Butylsulfanyl)benzoic acid