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71637-32-6,MFCD01859930
Catalog No.:AA00FCYZ

71637-32-6 | 3-Oxo-2-(thiophen-2-yl)propanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
500mg
>95%
1 week  
$403.00   $282.00
- +
1g
>95%
1 week  
$514.00   $360.00
- +
5g
>95%
1 week  
$1,561.00   $1,093.00
- +
10g
>95%
1 week  
$2,608.00   $1,826.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FCYZ
Chemical Name:
3-Oxo-2-(thiophen-2-yl)propanenitrile
CAS Number:
71637-32-6
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD01859930
SMILES:
OC=C(c1cccs1)C#N
Properties
Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Bruni,Fabrizio;Selleri,Silvia;Costanzo,Annarella;Guerrini,Gabriella;Casilli,MariaLucia;Giusti,Laura[JournalofHeterocyclicChemistry,1995,vol.32,#1,p.291-298]

[2]Frey,RobinR.;Curtin,MichaelL.;Albert,DanielH.;Glaser,KeithB.;Pease,LoriJ.;Soni,NiruB.;Bouska,JenniferJ.;Reuter,David;Stewart,KentD.;Marcotte,Patrick;Bukofzer,Gail;Li,Junling;Davidsen,StevenK.;Michaelides,MichaelR.[JournalofMedicinalChemistry,2008,vol.51,#13,p.3777-3787]

[3]CurrentPatentAssignee:LEXICONPHARMACEUTICALSINC-WO2013/134228,2013,A1Locationinpatent:Page/Pagecolumn23

Literature
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SDS
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Tags:71637-32-6 Molecular Formula|71637-32-6 MDL|71637-32-6 SMILES|71637-32-6 3-Oxo-2-(thiophen-2-yl)propanenitrile