Benzothiazole-2-boronic Acid - CAS 499769-96-9

Catalog:	BB026873
Product Name:	Benzothiazole-2-boronic Acid
CAS:	499769-96-9
Synonyms:	1,3-benzothiazol-2-ylboronic acid; 1,3-benzothiazol-2-ylboronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	1,3-benzothiazol-2-ylboronic acid
Description:	Benzothiazole-2-boronic Acid (CAS# 499769-96-9 ) is a useful research chemical.
Molecular Weight:	179.00
Molecular Formula:	C7H6NO2SB
Canonical SMILES:	B(C1=NC2=CC=CC=C2S1)(O)O
InChI:	InChI=1S/C7H6BNO2S/c10-8(11)7-9-5-3-1-2-4-6(5)12-7/h1-4,10-11H
InChI Key:	KQPADKUSNKOJID-UHFFFAOYSA-N
Boiling Point:	388.033 °C at 760 mmHg
Density:	1.441 g/cm³
MDL:	MFCD05664654
LogP:	-0.02390

Publication Number	Title	Priority Date
CN-113121584-A	Heterocyclic compound and organic electroluminescent device comprising same	20210330
CN-112778312-A	Organic material containing indoloquinazolinedione heterocyclic structure and application thereof	20201228
CN-112500397-A	Organic electroluminescent material with dibenzofuran-connected anthracene core structure and preparation method and device thereof	20201218
KR-102170558-B1	An electroluminescent compound and an electroluminescent device comprising the same	20200312
WO-2021182704-A1	Organic light-emitting compound and organic light-emitting device comprising same	20200312

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0212298
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.0212298
Rotatable Bond Count:	1
Topological Polar Surface Area:	81.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0