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883-93-2,MFCD00005777
Catalog No.:AA003HSG
883-93-2 | 2-Phenylbenzthiazole
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Technical Information
Catalog Number:
AA003HSG
Chemical Name:
2-Phenylbenzthiazole
CAS Number:
883-93-2
Molecular Formula:
C13H9NS
Molecular Weight:
211.2823
MDL Number:
MFCD00005777
IUPAC Name:
2-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
InChI Key:
XBHOUXSGHYZCNH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc2c(s1)cccc2
EC Number:
212-935-3
UNII:
FO573G4BGT
Properties
Computed Properties
 
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.282g/mol
Monoisotopic Mass:
211.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Synonyms
 
2-PBT 
2-phenylbenzothiazole 
2-phenylbenzthiazole 
NSC 1854 
NSC 2034 
EINECS 212-935-3 
BRN 0141340 
FO573G4BGT 
AI3-00636 
XBHOUXSGHYZCNH-UHFFFAOYSA-N 
FR-0848 
W-100406 
phenylbenzothiazole 
WLN: T56 BN DSJ CR 
phenyl-benzothiazole 
benzothiazole,phenyl- 
ACMC-209qsv 
AC1L21QC 
SCHEMBL94005 
2-Phenylbenzothiazole, 97% 
4-27-00-01385 (Beilstein Handbook Reference) 
IFLab1_004405 
2-Phenyl-1,3-benzothiazole # 
2-Phenylbenzothiazole 
CHEMBL2272273 
KS-00000EAX 
DTXSID80236946 
NSC1854 
NSC2034 
HMS1424I05 
ZINC120000 
NSC-1854 
NSC-2034 
4109AC 
883-93-2 
ANW-39005 
ARK102154 
CP-357 
MFCD00005777 
SBB008076 
STK360257 
AKOS000454336 
AKOS000470728 
CCG-103648 
MCULE-1799985143 
2-Phenylbenzo[d]thiazole 
VT10222 
IDI1_010160 
NCGC00335906-01 
AC-29863 
AJ-11650 
AN-47921 
CC-11821 
CS-11906 
LS-40806 
SY032902 
2-Phenyl-1,3-benzothiazole 
ZB004052 
AX8022974 
DB-057064 
TR-027758 
4CH-011712 
FT-0613325 
P1130 
ST24022378 
ST45006345 
MFCD00005777 (97%) 
BENZOTHIAZOLE, 2-PHENYL- 
AB00627448-04 
A842568 
C-30398 
SR-01000395348 
SR-01000395348-1 
I01-20809 
Z50128948 
100182-84-1 
InChI=1/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9 
C13H9NS 
UNII-FO573G4BGT 
C13-H9-N-S 
CID13439 
Benzothiazole, 2-phenyl- (6CI,7CI,8CI,9CI) 
2-PHENYL BENZOTHIAZOLE 
Literature

Title: Synthesis and photophysical properties of yellow-emitting iridium complexes. Effect of the temperature on the character of triplet emission.

Journal: Journal of fluorescence 20121101

Title: Cyclometalated iridium(III)-polyamine complexes with intense and long-lived multicolor phosphorescence: synthesis, crystal structure, photophysical behavior, cellular uptake, and transfection properties.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20121015

Title: Synthesis and biological evaluation of novel triazoles and isoxazoles linked 2-phenyl benzothiazole as potential anticancer agents.

Journal: Bioorganic & medicinal chemistry letters 20120901

Title: Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids.

Journal: Bioorganic & medicinal chemistry 20120501

Title: Acid induced acetylacetonato replacement in biscyclometalated iridium(III) complexes.

Journal: Dalton transactions (Cambridge, England : 2003) 20120407

Title: Impact of ligand modification on hydrogen photogeneration and light-harvesting applications using cyclometalated iridium complexes.

Journal: Inorganic chemistry 20120402

Title: Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1).

Journal: PloS one 20120101

Title: Ratiometric phosphorescence imaging of Hg(II) in living cells based on a neutral iridium(III) complex.

Journal: Inorganic chemistry 20110815

Title: Fine tuning of emission color of iridium(III) complexes from yellow to red via substituent effect on 2-phenylbenzothiazole ligands: synthesis, photophysical, electrochemical and DFT study.

Journal: Dalton transactions (Cambridge, England : 2003) 20110721

Title: Synthesis and biological activity of hydroxy substituted phenyl-benzo[d]thiazole analogues for antityrosinase activity in B16 cells.

Journal: Bioorganic & medicinal chemistry letters 20110415

Title: Synthesis and biological evaluation of a series of 2-(substitutedphenyl)benzothiazoles.

Journal: Medicinal chemistry (Shariqah (United Arab Emirates)) 20110301

Title: Study on changes in optical properties of phenylbenzothiazole derivatives on metal ion binding.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100915

Title: Novel amidino substituted 2-phenylbenzothiazoles: synthesis, antitumor evaluation in vitro and acute toxicity testing in vivo.

Journal: Bioorganic & medicinal chemistry 20100201

Title: A novel method for mining highly imbalanced high-throughput screening data in PubChem.

Journal: Bioinformatics (Oxford, England) 20091215

Title: Mass spectra of benzothiazolylcoumarins: formation of benzothiazolylbenzene cation.

Journal: Journal of mass spectrometry : JMS 20090301

Title: Novel precipitated fluorescent substrates for the screening of cellulolytic microorganisms.

Journal: Journal of microbiological methods 20090301

Title: Synthesis of 18F-labelled 2-(4'-fluorophenyl)-1,3-benzothiazole and evaluation as amyloid imaging agent in comparison with [11C]PIB.

Journal: Bioorganic & medicinal chemistry letters 20090201

Title: The prospects of cellulase-producing bacteria for the bioconversion of lignocellulosic biomass.

Journal: International journal of biological sciences 20090101

Title: Phosphorescent organic light-emitting devices: working principle and iridium based emitter materials.

Journal: International journal of molecular sciences 20080801

Title: Reinvestigation of carrier transport properties in liquid crystalline 2-phenylbenzothiazole derivatives.

Journal: The journal of physical chemistry. B 20071025

Title: Fluoro-pegylated (FPEG) imaging agents targeting Abeta aggregates.

Journal: Bioconjugate chemistry 20070101

Title: Oxorhenium(V) and oxotechnetium(V) [NN][S]3 complexes of 2-phenylbenzothiazole derivatives.

Journal: Inorganic chemistry 20060123

Title: Bis-cyclometalated Ir(III) complexes as efficient singlet oxygen sensitizers.

Journal: Journal of the American Chemical Society 20021218

Title: Synthesis and characterization of phosphorescent cyclometalated iridium complexes.

Journal: Inorganic chemistry 20010326

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