Benzo[C][1,2,5]thiadiazole-5-boronic acid pinacol ester

Product Information

Molecular Formula:
C12H15BN2O2S
Molecular Weight:
262.1357
Description
Benzo[C][1,2,5]thiadiazole-5-boronic acid pinacol ester exemplifies a biomedical compound, imparting its indispensability in the realm of novel drug development, targeting manifold ailments. Renowned for its versatility as a fundamental constituent, it serves as a pivotal component for the amalgamation of boronic acid derivatives. These derivatives exhibit immense potential in tailored therapeutics, combating cancer, diabetes, and inflammation. Noteworthy for its distinctive chemical framework, this compound paves the way for auspicious drug exploration and revolutionary advancements in the expansive biomedical domain.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole; 1168135-03-2; Benzo[c][1,2,5]thiadiazole-5-boronicacidpinacolester; 2,1,3-Benzothiadiazole-5-boronicacid,pinacolester; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c][1,2,5]thiadiazole; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NSN=C3C=C2
InChI
InChI=1S/C12H15BN2O2S/c1-11(2)12(3,4)17-13(16-11)8-5-6-9-10(7-8)15-18-14-9/h5-7H,1-4H3
InChI Key
KISHNZJGTMYYKH-UHFFFAOYSA-N
Melting Point
81-86 °C
Flash Point
Not applicable
Purity
95%
Storage
Keep cold.

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
262.0947291 g/mol
Monoisotopic Mass
262.0947291 g/mol
Topological Polar Surface Area
72.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
324
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
WO-2021058595-A1 Herbicidal compounds 2019-09-24
US-2019322655-A1 Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
KR-20200124759-A Novel triazolone derivative or salt thereof, and pharmaceutical composition comprising the same 2018-03-21
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
JP-2021518384-A A novel triazolone derivative or a salt thereof, and a pharmaceutical composition containing these. 2018-03-21
US-2021317110-A1 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same 2018-03-21
US-2019327974-A1 Synergists for improved pesticides 2017-01-09
WO-2016201219-A1 Small molecule inhibitors of dihydrofolate reductase 2015-06-11
EP-3294728-A1 Substituted quinoxaline derivatives 2015-05-13
US-2018118718-A1 Substituted Quinoxaline Derivatives 2015-05-13
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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