sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens Ethanone, 2-chloro-1-(3-methyl-2-thienyl)- (9CI)

Ethanone, 2-chloro-1-(3-methyl-2-thienyl)- (9CI)

CAS No.:
556110-52-2
Catalog Number:
AG00DHG6
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00DHG6
Chemical Name:
Ethanone, 2-chloro-1-(3-methyl-2-thienyl)- (9CI)
CAS Number:
556110-52-2
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
MDL Number:
MFCD16057615
IUPAC Name:
2-chloro-1-(3-methylthiophen-2-yl)ethanone
InChI:
InChI=1S/C7H7ClOS/c1-5-2-3-10-7(5)6(9)4-8/h2-3H,4H2,1H3
InChI Key:
HCEPFKMDXYBZCH-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1sccc1C
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.991g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.642g/mol
Monoisotopic Mass:
173.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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