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
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 |
