Potassium 5-formylthiophene-3-trifluoroborate
Product Information
Molecular Formula
C5H3BF3KOS
Molecular Weight
218.05
Description
Potassium 5-formylthiophene-3-trifluoroborate is utilized in the biomedical industry for its therapeutic properties. It is commonly employed in the development of drugs targeting various diseases, such as cancer and neurological disorders. This compound plays a crucial role in the synthesis of pharmaceutical agents that possess promising efficacy in treating these ailments.
Synonyms
Potassium 5-formylthiophen-3-yltrifluoroborate,Potassium trifluoro(5-formylthien-3-yl)borate
IUPAC Name
potassiumtrifluoro-(5-formylthiophen-3-yl)boranuide
SMILES
[B-](C1=CSC(=C1)C=O)(F)(F)F.[K+]
InChI
InChI=1S/C5H3BF3OS.K/c7-6(8,9)4-1-5(2-10)11-3-4/h1-3H/q-1+1
InChI Key
COQNXWNZUJWEAO-UHFFFAOYSA-N
Melting Point
262-273 °C
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
217.9586820 g/mol
Monoisotopic Mass
217.9586820 g/mol
Topological Polar Surface Area
45.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165
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
