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Home Halogens Ethanone, 1-(4-acetyl-2-thienyl)-2-chloro- (9CI)

Ethanone, 1-(4-acetyl-2-thienyl)-2-chloro- (9CI)

CAS No.:
556110-53-3
Catalog Number:
AG00DT9H
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
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Product Description
Catalog Number:
AG00DT9H
Chemical Name:
Ethanone, 1-(4-acetyl-2-thienyl)-2-chloro- (9CI)
CAS Number:
556110-53-3
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
MDL Number:
MFCD13172927
IUPAC Name:
1-(4-acetylthiophen-2-yl)-2-chloroethanone
InChI:
InChI=1S/C8H7ClO2S/c1-5(10)6-2-8(12-4-6)7(11)3-9/h2,4H,3H2,1H3
InChI Key:
ZXOHJCAZMWPEQT-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(sc1)C(=O)CCl
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.652g/mol
Monoisotopic Mass:
201.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.4A^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