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13668-93-4 | Ethanone, 2-chloro-1-(2,5-dichloro-3-thienyl)-
CAS No: 13668-93-4 Catalog No: AG00128A MDL No:MFCD01084557
Product Description
Catalog Number:
AG00128A
Chemical Name:
Ethanone, 2-chloro-1-(2,5-dichloro-3-thienyl)-
CAS Number:
13668-93-4
Molecular Formula:
C6H3Cl3OS
Molecular Weight:
229.5114
MDL Number:
MFCD01084557
IUPAC Name:
2-chloro-1-(2,5-dichlorothiophen-3-yl)ethanone
InChI:
InChI=1S/C6H3Cl3OS/c7-2-4(10)3-1-5(8)11-6(3)9/h1H,2H2
InChI Key:
JZKWVEHRDTWYBT-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(sc1Cl)Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.897g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.499g/mol
Monoisotopic Mass:
227.897g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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 |
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