Potassium 3-thiophenetrifluoroborate

Inquiry

Molecular Formula:

C4H3BF3KS

Molecular Weight:

190.04

CAS Number:

192863-37-9

Catalog Number:

192863-37-9

Product Information

Molecular Formula:

C4H3BF3KS

Molecular Weight:

190.04

Description

Potassium 3-thiophenetrifluoroborate is a valuable chemical compound used in the biomedical industry. It exhibits potential as a pharmaceutical intermediate with applications in the drug development of various diseases. Its unique properties make it an ideal component in the synthesis of drugs targeting specific enzyme inhibitors, antiviral agents, or anticancer therapies. With its versatile nature, Potassium 3-thiophenetrifluoroborate plays a vital role in advancing biomedical research and drug discovery efforts.

Synonyms

Potassium trifluoro(thiophen-3-yl)borate; Potassium Thiophene-3-trifluoroborate; potassium; trifluoro(thiophen-3-yl)boranuide; potassium trifluoro(thiophen-3-yl)boranuide; Borate(1-),trifluoro-3-thienyl-,potassium(1:1),(t-4)-; Potassiotrifluoro(3-thienyl) boron(V); AS-2393; potassium trifluoro(3-thienyl)boranuide; POTASSIUM 3-THIENYLTRIFLUOROBORATE; potassium,trifluoro(thiophen-3-yl)boranuide

IUPAC Name

potassiumtrifluoro(thiophen-3-yl)boranuide

Canonical SMILES

[B-](C1=CSC=C1)(F)(F)F.[K+]

InChI

InChI=1S/C4H3BF3S.K/c6-5(7,8)4-1-2-9-3-4/h1-3H/q-1+1

InChI Key

ULOOPHJJEPUNNH-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

189.9637674 g/mol

Monoisotopic Mass

189.9637674 g/mol

Topological Polar Surface Area

28.2Å²

Heavy Atom Count

Formal Charge

Complexity

107

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
AU-2015268962-A1	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
CA-2948601-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
EP-3151833-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-10064869-B2	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-10632125-B2	MTH1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-2017196873-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-2019000856-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
WO-2015187089-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	2014-06-04
US-2016002270-A1	Synthesis and use of fluorinated compounds	2013-02-12
US-9856275-B2	Synthesis and use of fluorinated compounds	2013-02-12

Literatures

PMID	Publication Date	Title	Journal
19389044	2009-06-01	Toxicological investigation and antinociceptive property of potassium thiophene-3-trifluoroborate	Basic & clinical pharmacology & toxicology

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The dilution calculator equation

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