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438213-69-5,MFCD03296469
Catalog No.:AA00730Z

438213-69-5 | 6-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$324.00   $227.00
- +
5g
95%
in stock  
$1,293.00   $905.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00730Z
Chemical Name:
6-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CAS Number:
438213-69-5
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD03296469
SMILES:
CC1CCc2c(C1)scc2C(=O)O
Properties
Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.8  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
Tags:438213-69-5 Molecular Formula|438213-69-5 MDL|438213-69-5 SMILES|438213-69-5 6-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid