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168279-54-7,MFCD00085083
Catalog No.:AA001XWG

168279-54-7 | Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate

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1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
5g
>95%
1 week  
$657.00   $460.00
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25g
>95%
1 week  
$1,914.00   $1,340.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001XWG
Chemical Name:
Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
CAS Number:
168279-54-7
Molecular Formula:
C12H14O3S2
Molecular Weight:
270.3678
MDL Number:
MFCD00085083
SMILES:
CCOC(=O)c1sc(c2c1CCCC2=O)SC
Properties
Computed Properties
 
Complexity:
319  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Patent:WO2019/126141,2019,A1.Locationinpatent:Page/Pagecolumn34

[2]SyntheticCommunications,1995,vol.25,p.2449-2455

[1]Patent:WO2019/126141,2019,A1.Locationinpatent:Page/Pagecolumn34

[2]SyntheticCommunications,1995,vol.25,p.2449-2455

[3]Patent:WO2019/219731,2019,A1.Locationinpatent:Page/Pagecolumn57-59

19501-58-7    168279-54-7   
Ethyl4,5,6,7-tetrahydro-4-(methoxyphenylhydrazono)-3-(methylthio)benzo<c>thiophene-1-carboxylate 

[1]LiebigsAnnales,1996,p.239-245

59-88-1    168279-54-7   
Ethyl5,10-dihydro-1-(methylthio)-4H-thieno<3,4-a>carbazole-3-carboxylate 

[1]LiebigsAnnales,1996,p.239-245

68-12-2    168279-54-7   
Ethyl4-chloro-6,7-dihydro-3-(methylthio)benzo<c>thiophene-1-carboxylate 
  175541-24-9 

[1]LiebigsAnnales,1996,p.239-245

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
Tags:168279-54-7 Molecular Formula|168279-54-7 MDL|168279-54-7 SMILES|168279-54-7 Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate