Name: Name:2-CHLORO-1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE
Brand: Angene
SKU: AG00EJ9N
Rating: 90 (10 reviews)

2-CHLORO-1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE

CAS No.:

62673-71-6

Catalog Number:

AG00EJ9N

Molecular Formula:

C6H3Br2ClOS

Molecular Weight:

318.4134

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Purity

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Product Description

Catalog Number:

AG00EJ9N

Chemical Name:

2-CHLORO-1-(3,4-DIBROMO-2-THIENYL)-1-ETHANONE

CAS Number:

62673-71-6

Molecular Formula:

C6H3Br2ClOS

Molecular Weight:

318.4134

MDL Number:

MFCD06411631

IUPAC Name:

2-chloro-1-(3,4-dibromothiophen-2-yl)ethanone

InChI:

InChI=1S/C6H3Br2ClOS/c7-3-2-11-6(5(3)8)4(10)1-9/h2H,1H2

InChI Key:

DVHYHNZCCIEQQA-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1scc(c1Br)Br

Properties

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.794g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.407g/mol

Monoisotopic Mass:

315.796g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

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