2-(4-Methoxyphenyl)benzothiazole - CAS 6265-92-5

Catalog:	BB031720
Product Name:	2-(4-Methoxyphenyl)benzothiazole
CAS:	6265-92-5
Synonyms:	2-(4-methoxyphenyl)-1,3-benzothiazole; 2-(4-methoxyphenyl)-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methoxyphenyl)-1,3-benzothiazole
Description:	2-(4-Methoxyphenyl)benzothiazole (CAS# 6265-92-5) is a useful research chemical.
Molecular Weight:	241.31
Molecular Formula:	C14H11NOS
Canonical SMILES:	COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
InChI:	InChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
InChI Key:	AOPZIJQISHFZBN-UHFFFAOYSA-N
Boiling Point:	392.5 °C at 760 mmHg
Density:	1.234 g/cm³
Solubility:	Other solvents(Soluble) : Toluene
LogP:	3.97190

Publication Number	Title	Priority Date
CN-112142686-A	Preparation method of heterogeneous sustainable catalytic benzothiazole derivative	20200909
CN-111793040-A	Preparation method of 2-substituted benzothiazole	20200811
CN-111334817-A	Electrochemical synthesis method of 2-substituted benzothiazole compound	20200331
CN-111334817-B	Electrochemical synthesis method of 2-substituted benzothiazole compound	20200331
CN-110698426-A	Method for preparing 1, 3-benzothiazole derivative by efficient catalysis of potassium tert-butoxide	20191104

PMID	Publication Date	Title	Journal
22772805	20121101	Synthesis and photophysical properties of yellow-emitting iridium complexes. Effect of the temperature on the character of triplet emission	Journal of fluorescence
21397499	20110415	Synthesis and biological activity of hydroxy substituted phenyl-benzo[d]thiazole analogues for antityrosinase activity in B16 cells	Bioorganic & medicinal chemistry letters
19215089	20090312	A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution	Journal of medicinal chemistry

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Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.05613515
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.05613515
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2