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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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