5-CHLORO-2-THIENYLZINC BROMIDE
Product Information
Molecular Formula
C4H2BrClSZn
Molecular Weight
262.87
Description
5-CHLORO-2-THIENYLZINC BROMIDE is a valuable reagent widely used in the biomedicine industry. This compound is commonly employed in the synthesis of various pharmaceuticals, especially those targeting diseases related to the central nervous system, inflammation, and cancer. Its unique structure and properties make it an essential tool for medicinal chemists in the development of novel drug candidates.
Synonyms
5-CHLORO-2-THIENYLZINC BROMIDE; 5-CHLORO-2-THIENYLZINC BROMIDE, 0.5M SOL UTION IN TETRAHYDROFURAN; 5-chloro-2-thienylzinc bromide solution
IUPAC Name
bromozinc(1+)5-chloro-2H-thiophen-2-ide
SMILES
C1=[C-]SC(=C1)Cl.[Zn+]Br
InChI
InChI=1S/C4H2ClS.BrH.Zn/c5-4-2-1-3-6-4/h1-2H1H/q-1+2/p-1
InChI Key
DIICBFYMXBZSTF-UHFFFAOYSA-M
Flash Point
1.0 °F - closed cup
Density
0.984
Appearance
Light to dark brown liquid
Storage
2-8°C
Safety Information
Hazards
H225 - H302 - H319 - H335 - H351
Precautionary Statement
P210 - P280 - P301 + P312 + P330 - P305 + P351 + P338 - P370 + P378 - P403 + P235
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
259.80405 g/mol
Monoisotopic Mass
259.80405 g/mol
Topological Polar Surface Area
25.3Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
113
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
