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54796-53-1,MFCD11110671
Catalog No.:AA0037KH

54796-53-1 | 5-Bromo-4-methylthiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$44.00   $31.00
- +
5g
98%
in stock  
$154.00   $108.00
- +
10g
98%
in stock  
$266.00   $186.00
- +
25g
98%
in stock  
$520.00   $364.00
- +
100g
98%
in stock  
$1,567.00 $1,097.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0037KH
Chemical Name:
5-Bromo-4-methylthiophene-2-carboxylic acid
CAS Number:
54796-53-1
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
MDL Number:
MFCD11110671
SMILES:
OC(=O)c1cc(c(s1)Br)C
Properties
Properties
 
BP:
322.448°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

Literature

Title: Potent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design.

Journal: PloS one 20090101

Quotation Request
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SDS
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Tags:54796-53-1 Molecular Formula|54796-53-1 MDL|54796-53-1 SMILES|54796-53-1 5-Bromo-4-methylthiophene-2-carboxylic acid
Catalog No.: AA0037KH
54796-53-1,MFCD11110671
54796-53-1 | 5-Bromo-4-methylthiophene-2-carboxylic acid
Pack Size： 1g
Purity： 95%
in stock
$44.00 $31.00
Pack Size： 5g
Purity： 98%
in stock
$154.00 $108.00
Pack Size： 10g
Purity： 98%
in stock
$266.00 $186.00
Pack Size： 25g
Purity： 98%
in stock
$520.00 $364.00
Pack Size： 100g
Purity： 98%
in stock
$1,567.00 $1,097.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0037KH
Chemical Name: 5-Bromo-4-methylthiophene-2-carboxylic acid
CAS Number: 54796-53-1
Molecular Formula: C6H5BrO2S
Molecular Weight: 221.0717
MDL Number: MFCD11110671
SMILES: OC(=O)c1cc(c(s1)Br)C
Properties
BP: 322.448°C at 760 mmHg  
Form: Solid  
Storage: Inert atmosphere;2-8℃;  
Complexity: 151  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
Downstream Synthesis Route
54796-53-1    1118-89-4    160744-00-3 

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

54796-53-1    193064-80-1 

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

54796-53-1    160744-07-0 

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

54796-53-1    160744-06-9 

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

Literature fold

Title: Potent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design.

Journal: PloS one20090101

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