Thiophene-3-boronic acid
Product Information
Molecular Formula
C4H5BO2S
Molecular Weight
127.96
Description
Thiophene-3-boronic acid (CAS# 6165-69-1 ) is a useful research chemical.
Synonyms
3-Thiopheneboronic acid; 3-Thienylboronic acid
IUPAC Name
thiophen-3-ylboronic acid
SMILES
B(C1=CSC=C1)(O)O
InChI
InChI=1S/C4H5BO2S/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
InChI Key
QNMBSXGYAQZCTN-UHFFFAOYSA-N
Boiling Point
287.9±32.0 °C at 760 mmHg
Melting Point
164-169 °C (lit.)
Flash Point
Not applicable
Purity
98 %
Density
1.3±0.1 g/cm3
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
128.0103307 g/mol
Monoisotopic Mass
128.0103307 g/mol
Topological Polar Surface Area
68.7Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
78.4
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
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113979939-A | Synthesis method and application of 2-arylquinoline-4-carboxylic ester | 2021-09-12 |
| CN-113683474-A | Method for synthesizing norbornane compound | 2021-08-31 |
| AU-2021103877-A4 | Virtual screening method for small molecular reversible inhibitors of flavobacterium alkaline metalloproteinase | 2021-07-05 |
| CN-113429383-A | Non-fullerene acceptor material, preparation method and application thereof | 2021-06-16 |
| CN-113480718-A | Preparation method and application of novel D-A copolymerized donor material | 2021-05-31 |
| CN-113264917-A | Anti-hepatitis B virus compound and preparation method and application thereof | 2021-05-28 |
| CN-113214219-A | Oseltamivir amino derivative and preparation method and application thereof | 2021-05-06 |
| CN-113461666-A | Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof | 2021-05-06 |
| CN-113189175-A | Preparation method of molecular imprinting sensor, product obtained by preparation method and application of molecular imprinting sensor | 2021-03-22 |
| US-2021403449-A1 | Biphenyl diaryl pyrimidine derivative with aromatic heterocyclic structure | 2021-03-08 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21936546 | 2011-11-04 | Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors | The Journal of organic chemistry |
| 19618939 | 2009-08-13 | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography | Journal of medicinal chemistry |
| 22303136 | 2009-01-01 | DNA hybridization sensors based on electrochemical impedance spectroscopy as a detection tool | Sensors (Basel, Switzerland) |
| 18826248 | 2008-11-01 | Selective electrochemical sensing of glycated hemoglobin (HbA1c) on thiophene-3-boronic acid self-assembled monolayer covered gold electrodes | Analytical chemistry |
| 11679247 | 2001-12-01 | Substitution of antibodies and receptors with molecularly imprinted polymers in enzyme-linked and fluorescent assays | Biosensors & bioelectronics |
