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Home Halogens Ethanone, 2-chloro-1-(2-thienyl)-

Ethanone, 2-chloro-1-(2-thienyl)-

CAS No.:
29683-77-0
Catalog Number:
AG002Z45
Molecular Formula:
C6H5ClOS
Molecular Weight:
160.6213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$413
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Product Description
Catalog Number:
AG002Z45
Chemical Name:
Ethanone, 2-chloro-1-(2-thienyl)-
CAS Number:
29683-77-0
Molecular Formula:
C6H5ClOS
Molecular Weight:
160.6213
MDL Number:
MFCD01812507
IUPAC Name:
2-chloro-1-thiophen-2-ylethanone
InChI:
InChI=1S/C6H5ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChI Key:
KHOWLHQEABZKNA-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cccs1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.975g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.615g/mol
Monoisotopic Mass:
159.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools. Bioorganic & medicinal chemistry 20091001
Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3beta) from a library of compound searching. Journal of medicinal chemistry 20031023
Properties