2-Phenylbenzothiazole - CAS 883-93-2

Name: 2-Phenylbenzothiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038842
Product Name:	2-Phenylbenzothiazole
CAS:	883-93-2
Synonyms:	2-phenyl-1,3-benzothiazole

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Computed Properties

IUPAC Name:	2-phenyl-1,3-benzothiazole
Description:	2-Phenylbenzothiazole (CAS# 883-93-2) is an organic compound that was detected in water and sediment from sedimentation ponds as a contaminant.
Molecular Weight:	211.28
Molecular Formula:	C13H9NS
Canonical SMILES:	C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
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
Boiling Point:	371 °C
Density:	1.231 g/cm³
Appearance:	White to yellow solid
MDL:	MFCD00005777
LogP:	3.96330
Vapor Pressure:	0.00000484 [mmHg]

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Related Functional Groups

Benzoxazole/Benzothiazole

[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[313402-37-8]C14H12N2S
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[20712-11-2]C7H4N2O2S
6-Nitrobenzo[c]isothiazole
[1225716-41-5]C9H7NO2
1-(5-Benzoxazolyl)ethanone
[101253-50-3]C8H7ClN2S
5-Chloro-2-methylbenzo[d]thiazol-6-amine
[1855907-41-3]C10H8F4N2OS
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine

Oxazole/Thiazole

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[3973-08-8]C4H3NO2S
4-Thiazolecarboxylic acid
[262857-90-9]C10H12N2O2
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[937598-16-8]C15H13F3N2O3S
Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
[885681-46-9]C14H15NO3S
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[19749-93-0]C9H11ClN2O3S
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113461617-A	Method for preparing N-heterocycle through visible light mediated dehydrogenation	20210629
CN-113292607-A	Ionic luminescent platinum complex based on benzimidazole phosphine ligand and preparation method thereof	20210628
CN-113416173-A	Method for catalytically synthesizing benzothiazole compounds by using copper complexes	20210628
CN-113372293-A	Preparation method of 2-phenylbenzothiazole derivative	20210625
CN-113318754-A	Preparation of supported NiPd bimetallic catalyst and application of supported NiPd bimetallic catalyst in oxidative coupling reaction	20210623

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
22945463	20121015	Cyclometalated iridium(III)-polyamine complexes with intense and long-lived multicolor phosphorescence: synthesis, crystal structure, photophysical behavior, cellular uptake, and transfection properties	Chemistry (Weinheim an der Bergstrasse, Germany)
22858144	20120901	Synthesis and biological evaluation of novel triazoles and isoxazoles linked 2-phenyl benzothiazole as potential anticancer agents	Bioorganic & medicinal chemistry letters
22472046	20120501	Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids	Bioorganic & medicinal chemistry
22358149	20120407	Acid induced acetylacetonato replacement in biscyclometalated iridium(III) complexes	Dalton transactions (Cambridge, England : 2003)

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.04557046
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.04557046
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3