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31772-42-6,MFCD00464874
Catalog No.:AA00CLL1

31772-42-6 | 2-Chloro-1-(5-methyl-thiophen-2-yl)-ethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$115.00   $80.00
- +
250mg
95%
in stock  
$218.00   $153.00
- +
1g
95%
in stock  
$520.00 $364.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00CLL1
Chemical Name:
2-Chloro-1-(5-methyl-thiophen-2-yl)-ethanone
CAS Number:
31772-42-6
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
MDL Number:
MFCD00464874
SMILES:
Cc1ccc(s1)C(=O)CCl
Properties
Computed Properties
 
Complexity:
138  
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:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route
31772-42-6    2253-73-8    109-77-3   
4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-yl)aminothiophene-3-carbonitrile 

[1]Boutard,Nicolas;Sabiniarz,Aleksandra;Czerwińska,Klaudia;Jarosz,Małgorzata;Cierpich,Anna;Kolasińska,Ewa;Wiklik,Katarzyna;Gluza,Karolina;Commandeur,Claude;Buda,Anna;Stasiowska,Agata;Bobowska,Aneta;Galek,Mariusz;Fabritius,Charles-Henry;Bugaj,Marta;Palacz,Edyta;Mazan,Andrzej;Zarębski,Adrian;Krawczyńska,Karolina;Żurawska,Małgorzata;Zawadzki,Przemysław;Milik,Mariusz;Węgrzyn,Paulina;Dobrzańska,Monika;Brzózka,Krzysztof;Kowalczyk,Piotr[BioorganicandMedicinalChemistryLetters,2019,vol.29,#4,p.607-613]

Literature

Title: Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools.

Journal: Bioorganic & medicinal chemistry 20091001

Title: Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3beta) from a library of compound searching.

Journal: Journal of medicinal chemistry 20031023

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SDS
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Tags:31772-42-6 Molecular Formula|31772-42-6 MDL|31772-42-6 SMILES|31772-42-6 2-Chloro-1-(5-methyl-thiophen-2-yl)-ethanone
Catalog No.: AA00CLL1
31772-42-6,MFCD00464874
31772-42-6 | 2-Chloro-1-(5-methyl-thiophen-2-yl)-ethanone
Pack Size： 100mg
Purity： 95%
in stock
$115.00 $80.00
Pack Size： 250mg
Purity： 95%
in stock
$218.00 $153.00
Pack Size： 1g
Purity： 95%
in stock
$520.00 $364.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00CLL1
Chemical Name: 2-Chloro-1-(5-methyl-thiophen-2-yl)-ethanone
CAS Number: 31772-42-6
Molecular Formula: C7H7ClOS
Molecular Weight: 174.6479
MDL Number: MFCD00464874
SMILES: Cc1ccc(s1)C(=O)CCl
Properties
Complexity: 138  
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: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
31772-42-6    2253-73-8    109-77-3   
4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-yl)aminothiophene-3-carbonitrile 

[1]Boutard,Nicolas;Sabiniarz,Aleksandra;Czerwińska,Klaudia;Jarosz,Małgorzata;Cierpich,Anna;Kolasińska,Ewa;Wiklik,Katarzyna;Gluza,Karolina;Commandeur,Claude;Buda,Anna;Stasiowska,Agata;Bobowska,Aneta;Galek,Mariusz;Fabritius,Charles-Henry;Bugaj,Marta;Palacz,Edyta;Mazan,Andrzej;Zarębski,Adrian;Krawczyńska,Karolina;Żurawska,Małgorzata;Zawadzki,Przemysław;Milik,Mariusz;Węgrzyn,Paulina;Dobrzańska,Monika;Brzózka,Krzysztof;Kowalczyk,Piotr[BioorganicandMedicinalChemistryLetters,2019,vol.29,#4,p.607-613]

Literature fold

Title: Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools.

Journal: Bioorganic & medicinal chemistry20091001

Title: Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3beta) from a library of compound searching.

Journal: Journal of medicinal chemistry20031023

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