2-Methylbenzothiazole-5-boronic acid
Product Information
Molecular Formula
C8H8BNO2S
Molecular Weight
193.03062
Description
2-Methylbenzothiazole-5-boronic acid is a well-known important organic compound in the biomedical field and can be involved in research to improve the treatment of various diseases such as cancer and diabetes.
Synonyms
2-Methylbenzo[d]thiazol-5-ylboronic acid
IUPAC Name
(2-methyl-1,3-benzothiazol-5-yl)boronic acid
SMILES
B(C1=CC2=C(C=C1)SC(=N2)C)(O)O
InChI
InChI=1S/C8H8BNO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4,11-12H,1H3
InChI Key
XFPZHJXTRXAWAO-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
97%
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
193.0368798 g/mol
Monoisotopic Mass
193.0368798 g/mol
Topological Polar Surface Area
81.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
193
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 |
|---|---|---|
| KR-20220003680-A | An electroluminescent compound and an electroluminescent device comprising the same | 2020-07-01 |
| WO-2021064677-A1 | Inhibitors of human immunodeficiency virus replication | 2019-10-04 |
| AU-2015293541-A1 | Substituted phenyl alkanoic acid compounds as GPR120 agonists and uses thereof | 2014-07-25 |
| EP-3172185-A2 | Substituted phenyl alkanoic acid compounds as gpr120 agonists and uses thereof | 2014-07-25 |
| EP-3172185-B1 | Substituted phenyl alkanoic acid compounds as gpr120 agonists and uses thereof | 2014-07-25 |
| US-10273230-B2 | Substituted phenyl alkanoic acid compounds as GPR120 agonists and uses thereof | 2014-07-25 |
| US-2017210731-A1 | Substituted phenyl alkanoic acid compounds as gpr120 agonists and uses thereof | 2014-07-25 |
| WO-2016012965-A2 | Substituted phenyl alkanoic acid compounds as gpr120 agonists and uses thereof | 2014-07-25 |
| TW-201609726-A | Imidazopyridine and imidazopyrazine as LSD1 inhibitors | 2014-07-10 |
| TW-I687419-B | Imidazopyridines and imidazopyrazines as LSD1 inhibitors | 2014-07-10 |
