2,1,3-Benzothiadiazole-4,7-bis(boronic acid pinacol ester)
Product Information
Molecular Formula
C18H26B2N2O4S
Molecular Weight
388.1
Description
2,1,3-Benzothiadiazole-4,7-bis(boronic acid pinacol ester) is a versatile compound used in the biomedical industry. It exhibits potential in the development of drugs targeting chronic diseases like cancer and diabetes. Its unique structure allows it to interact with specific cellular receptors, aiding in disease diagnosis and treatment.
Synonyms
2,1,3-Benzothiadiazole-4,7-diboronic Acid Bis(pinacol) Ester
IUPAC Name
4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
SMILES
CC1(C)OB(OC1(C)C)c2ccc(B3OC(C)(C)C(C)(C)O3)c4nsnc24
InChI
InChI=1S/C18H26B2N2O4S/c1-15(2)16(3,4)24-19(23-15)11-9-10-12(14-13(11)21-27-22-14)20-25-17(5,6)18(7,8)26-20/h9-10H,1-8H3
InChI Key
DHWADSHFLSDMBJ-UHFFFAOYSA-N
Melting Point
214 °C
Flash Point
Not applicable
Purity
95%
Appearance
White to Light yellow to Light orange powder to crystal
Storage
Sealed in dry. Room temperature.
Safety Information
Precautionary Statement
P262
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
388.1799388 g/mol
Monoisotopic Mass
388.1799388 g/mol
Topological Polar Surface Area
90.9Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
522
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
