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Home Halogens 2-chloro-1-(5-chlorothiophen-2-yl)ethanone

2-chloro-1-(5-chlorothiophen-2-yl)ethanone

CAS No.:
42445-55-6
Catalog Number:
AG00I87S
Molecular Formula:
C6H4Cl2OS
Molecular Weight:
195.0664
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Product Description
Catalog Number:
AG00I87S
Chemical Name:
2-chloro-1-(5-chlorothiophen-2-yl)ethanone
CAS Number:
42445-55-6
Molecular Formula:
C6H4Cl2OS
Molecular Weight:
195.0664
MDL Number:
MFCD01151759
IUPAC Name:
2-chloro-1-(5-chlorothiophen-2-yl)ethanone
InChI:
InChI=1S/C6H4Cl2OS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2
InChI Key:
JRHBEDSUTAGRQV-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(s1)Cl
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.936g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.057g/mol
Monoisotopic Mass:
193.936g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
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