2-(2-Aminophenyl)benzothiazole - CAS 29483-73-6

Catalog:	BB020215
Product Name:	2-(2-Aminophenyl)benzothiazole
CAS:	29483-73-6
Synonyms:	2-(1,3-benzothiazol-2-yl)aniline

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(1,3-benzothiazol-2-yl)aniline
Description:	2-(2-Aminophenyl)benzothiazole (CAS# 29483-73-6) is a useful research chemical.
Molecular Weight:	226.30
Molecular Formula:	C13H10N2S
Canonical SMILES:	C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)N
InChI:	InChI=1S/C13H10N2S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2
InChI Key:	RAASYFFQTCWEKN-UHFFFAOYSA-N
Boiling Point:	417.8 °C at 760 mmHg
Density:	1.301 g/cm³
Appearance:	White to tan powder or crystals
MDL:	MFCD00937701
LogP:	4.12670

Publication Number	Title	Priority Date
WO-2020204864-A1	Benzoxazole derivative compounds with anticancer effects	20190401
US-2020172803-A1	Luminescent materials including a luminescent benzothiazole, articles including a security feature, and methods of forming luminescent particles including a luminescent benzothiazole	20181129
WO-2020113016-A1	Luminescent materials including a luminescent benzothiazole, articles including a security feature, and methods of forming luminescent particles including a luminescent benzothiazole	20181129
EP-3702377-A1	Curable composition	20171026
US-2020291157-A1	Curable composition	20171026

PMID	Publication Date	Title	Journal
21481591	20110501	2-Arylbenzothiazole, benzoxazole and benzimidazole derivatives as fluorogenic substrates for the detection of nitroreductase and aminopeptidase activity in clinically important bacteria	Bioorganic & medicinal chemistry

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Related Functional Groups

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Oxazole/Thiazole

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[1072145-33-5]
ERRα antagonist-1
[132089-38-4]
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501
Signal Word:	Danger

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.05646950
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.05646950
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6