Potassium 4-(methylthio)phenyltrifluoroborate
Product Information
Molecular Formula
C7H7BF3KS
Molecular Weight
230.10
Description
Potassium 4-(methylthio)phenyltrifluoroborate is an indispensable compound in the biomedicine sector and exhibits immense potential as a key precursor for numerous pharmaceutical agents. Renowned for its distinctive attributes, it holds paramount significance in the advancement of therapeutic interventions targeting cancer, inflammation, and neurological afflictions.
Synonyms
Potassium 4-(methylthio)phenyltrifluoroborate; potassium trifluoro[4-(methylsulfanyl)phenyl]boranuide; Potassium trifluoro(4-(methylthio)phenyl)borate; potassium; trifluoro-(4-methylsulfanylphenyl)boranuide; POTASSIUM4-(METHYLTHIO)PHENYLTRIFLUORO&; Potassium 3-methylthiophenyltrifluoroborate; Potassium trifluoro[4-(methylsulfanyl)phenyl]borate(1-)
IUPAC Name
potassiumtrifluoro-(4-methylsulfanylphenyl)boranuide
SMILES
[B-](C1=CC=C(C=C1)SC)(F)(F)F.[K+]
InChI
InChI=1S/C7H7BF3S.K/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3/q-1+1
InChI Key
RXGCQQOLNQOSLX-UHFFFAOYSA-N
Melting Point
>300 °C
Purity
95%
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
229.9950675 g/mol
Monoisotopic Mass
229.9950675 g/mol
Topological Polar Surface Area
25.3Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
145
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
