sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens Ethanone, 2-chloro-1-(4-methyl-2-thienyl)- (9CI)

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

CAS No.:
556110-51-1
Catalog Number:
AG00DTAG
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00DTAG
Chemical Name:
Ethanone, 2-chloro-1-(4-methyl-2-thienyl)- (9CI)
CAS Number:
556110-51-1
Molecular Formula:
C7H7ClOS
Molecular Weight:
174.6479
MDL Number:
MFCD18972624
IUPAC Name:
2-chloro-1-(4-methylthiophen-2-yl)ethanone
InChI:
InChI=1S/C7H7ClOS/c1-5-2-7(10-4-5)6(9)3-8/h2,4H,3H2,1H3
InChI Key:
DTVJTKCODIMAPK-UHFFFAOYSA-N
SMILES:
Cc1cc(sc1)C(=O)CCl
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