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2-(2-Hydroxyphenyl)benzothiazole

CAS No.:
3411-95-8
Catalog Number:
AG003ERZ
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
In Stock USA
United States
$153
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25g
In Stock USA
United States
$264
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Product Description
Catalog Number:
AG003ERZ
Chemical Name:
2-(2-Hydroxyphenyl)benzothiazole
CAS Number:
3411-95-8
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
MDL Number:
MFCD00022869
IUPAC Name:
2-(1,3-benzothiazol-2-yl)phenol
InChI:
InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
InChI Key:
MVVGSPCXHRFDDR-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nc2c(s1)cccc2
EC Number:
222-299-9
UNII:
40UQ1I362I
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
New excited state intramolecular proton transfer (ESIPT) dyes based on naphthalimide and observation of long-lived triplet excited states. Chemical communications (Cambridge, England) 20121009
Dramatic substituent effects on the photoluminescence of boron complexes of 2-(benzothiazol-2-yl)phenols. Chemistry (Weinheim an der Bergstrasse, Germany) 20120806
Accessing the long-lived triplet excited states in bodipy-conjugated 2-(2-hydroxyphenyl) benzothiazole/benzoxazoles and applications as organic triplet photosensitizers for photooxidations. The Journal of organic chemistry 20120720
The effect of hydrogen bonding on the excited-state proton transfer in 2-(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study. Physical chemistry chemical physics : PCCP 20120707
Base-induced chemiluminescent decomposition of bicyclic dioxetanes bearing a (benzothiazol-2-yl)-3-hydroxyphenyl group: a radiationless pathway leading to marked decline of chemiluminescence efficiency. The Journal of organic chemistry 20120518
A small change in molecular structure, a big difference in the AIEE mechanism. Physical chemistry chemical physics : PCCP 20120421
Photo-controlled metal-ion (Zn2+ and Cd2+) release in aqueous Tween-20 micelle solution. Physical chemistry chemical physics : PCCP 20120221
Syntheses, reactions, and ethylene polymerization of half-sandwich titanium complexes containing salicylbenzoxazole and salicylbenzothiazole ligands. Dalton transactions (Cambridge, England : 2003) 20111128
2-(2-Hy-droxy-phen-yl)-1,3-benzothia-zole-6-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20111101
Ultrafast branching of reaction pathways in 2-(2'-hydroxyphenyl)benzothiazole in polar acetonitrile solution. The journal of physical chemistry. A 20110707
A 'reactive' ratiometric fluorescent probe for mercury species. Organic letters 20110701
Intramolecular charge-transfer-induced decomposition promoted by an aprotic polar solvent for bicyclic dioxetanes bearing a 4-(benzothiazol-2-yl)-3-hydroxyphenyl moiety. The Journal of organic chemistry 20110204
Theoretical studies of molecular structure, electronic structure, spectroscopic properties and the ancillary ligand effect: a comparison of tris-chelate ML3-type and ML2X-type species for gallium(III) complexes with N,O-donor phenolic ligand, 2-(2-hydroxyphenyl)benzothiazole. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110201
Recent Development of Bifunctional Small Molecules to Study Metal-Amyloid-β Species in Alzheimer's Disease. International journal of Alzheimer's disease 20110101
Study on changes in optical properties of phenylbenzothiazole derivatives on metal ion binding. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100915
Synthesis of thermally stable acylamino-substituted bicyclic dioxetanes and their base-induced chemiluminescent decomposition. The Journal of organic chemistry 20100903
Marked difference in fragmentation between collision-induced excitation and chemi-excitation of keto esters produced from dioxetanes bearing a 4-(benzothiazol-2-yl)-3-hydroxyphenyl moiety in negative-mode matrix-assisted laser desorption/ionization time-of-flight tandem mass spectrometry. Rapid communications in mass spectrometry : RCM 20100901
[A new type of iridium (III) phenylpyrazole complexes: synthesis, photophysical characterization]. Guang pu xue yu guang pu fen xi = Guang pu 20100901
Thermodynamic aspects of thermal decomposition and charge-transfer-induced chemiluminescent decomposition for bicyclic dioxetanes bearing a 4-(benzothiazol-2-yl)-3-hydroxyphenyl moiety. The Journal of organic chemistry 20100604
Syntheses, characterization, and ethylene polymerization of titanium and zirconium complexes with [N, O] ligands. Dalton transactions (Cambridge, England : 2003) 20091107
A highly selective fluorescent ESIPT probe for the dual specificity phosphatase MKP-6. Chemical communications (Cambridge, England) 20091021
Excited state intramolecular proton transfer and photophysics of a new fluorenyl two-photon fluorescent probe. Chemphyschem : a European journal of chemical physics and physical chemistry 20090824
Ultrafast internal conversion pathway and mechanism in 2-(2'-hydroxyphenyl)benzothiazole: a case study for excited-state intramolecular proton transfer systems. Physical chemistry chemical physics : PCCP 20090307
Design, selection, and characterization of thioflavin-based intercalation compounds with metal chelating properties for application in Alzheimer's disease. Journal of the American Chemical Society 20090204
[The spectra properties of 2-(2'-hydroxyphenyl)benzothiazole in different solvents]. Guang pu xue yu guang pu fen xi = Guang pu 20080501
Excited-state intramolecular proton transfer in 2-(3'-hydroxy-2'-pyridyl)benzoxazole. Evidence of coupled proton and charge transfer in the excited state of some o-hydroxyarylbenzazoles. The journal of physical chemistry. A 20070315
Femtosecond dynamics on 2-(2'-hydroxy-4'-diethylaminophenyl)benzothiazole: solvent polarity in the excited-state proton transfer. Chemphyschem : a European journal of chemical physics and physical chemistry 20060612
Excited-state intramolecular proton transfer: a survey of TDDFT and RI-CC2 excited-state potential energy surfaces. The journal of physical chemistry. A 20050414
In situ incorporation of 2-(2-hydroxyphenyl)benzothiazole within FAU colloidal crystals. Angewandte Chemie (International ed. in English) 20030411
Femtosecond mid-infrared spectroscopy of condensed phase hydrogen-bonded systems as a probe of structural dynamics. Faraday discussions 20030101
Properties