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Home Amines 329222-96-0
329222-96-0,MFCD01114964
Catalog No.:AA00COQ3

329222-96-0 | 2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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Purity
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Price(USD)
Quantity
  
5g
95%
in stock  
$1,642.00   $1,149.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00COQ3
Chemical Name:
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Number:
329222-96-0
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD01114964
SMILES:
CCC1CCc2c(C1)sc(c2C#N)N
Properties
Computed Properties
 
Complexity:
257  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.7  

Literature

Title: Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C.

Journal: Journal of medicinal chemistry 20101209

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SDS
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Tags:329222-96-0 Molecular Formula|329222-96-0 MDL|329222-96-0 SMILES|329222-96-0 2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile