2-Methylbenzothiazole-5-boronic acid

Product Information

Molecular Formula:
C8H8BNO2S
Molecular Weight:
193.03
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-yl)boronic acid; (2-Methyl-1,3-benzothiazol-5-yl)boronic acid; Boronic acid, (2-methyl-5-benzothiazolyl)- (9CI); Boronic acid, (2-methyl-5-benzothiazolyl)-; 2-methyl-benzothiazole-5-boronic acid; (2-Methylbenzo[d]thiazol-5-yl)boronicacid; 2-Methylbenzothiazole-5-boronic acid
IUPAC Name
(2-methyl-1,3-benzothiazol-5-yl)boronic acid
Canonical 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

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
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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