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V900782

Sigma-Aldrich

Benzothiazole

Vetec™, reagent grade, 96%

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About This Item

Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
95-16-9
Molecular Weight:
135.19
Beilstein/REAXYS Number:
109468
EC Number:
202-396-2
MDL number:
MFCD00005775
UNSPSC Code:
12352100
PubChem Substance ID:
329830151

grade

reagent grade

vapor density

4.66 (vs air)

vapor pressure

34 mmHg ( 131 °C)

product line

Vetec™

assay

96%

refractive index

n20/D 1.642 (lit.)

bp

231 °C (lit.)

mp

2 °C (lit.)

density

1.238 g/mL at 25 °C (lit.)

SMILES string

c1ccc2scnc2c1

InChI

1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

Inchi Key

IOJUPLGTWVMSFF-UHFFFAOYSA-N

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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
WXBB0870

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Kazumasa Wakamatsu et al.
Pigment cell & melanoma research, 25(4), 434-445 (2012-05-04)
Eumelanin is photoprotective while pheomelanin is phototoxic to pigmented tissues. Ultraviolet A (UVA)-induced tanning seems to result from the photooxidation of pre-existing melanin and contributes no photoprotection. However, data available for melanin biodegradation remain limited. In this study, we first
Dennis S B Ongarora et al.
Bioorganic & medicinal chemistry letters, 22(15), 5046-5050 (2012-07-04)
The synthesis and evaluation of antiplasmodial activity of benzothiazole, benzimidazole, benzoxazole and pyridine analogues of amodiaquine is hereby reported. Benzothiazole and benzoxazole analogues with a protonatable tertiary nitrogen atom possessed excellent activity against the W2 and K1 chloroquine resistant strains
Ahmed Kamal et al.
Bioorganic & medicinal chemistry, 20(11), 3480-3492 (2012-05-01)
A series of chalcone-amidobenzothiazole conjugates (9a-k and 10a,b) have been synthesized and evaluated for their anticancer activity. All these compounds exhibited potent activity and the IC(50) of two potential compounds (9a and 9f) against different cancer cell lines are in
Seunghee Hong et al.
Journal of medicinal chemistry, 56(9), 3531-3545 (2013-04-23)
The existence of drug resistance caused by mutations in the break-point cluster region-Abelson tyrosine kinase (Bcr-Abl) kinase domain remains a clinical challenge due to limited effective treatment options for chronic myeloid leukemia (CML). Herein we report a novel series of
Zhe Li et al.
Inorganic chemistry, 52(3), 1379-1387 (2013-01-16)
Zn(II) complexes of the following new, fluorine-containing, benzothiazole-derived ligands have been synthesized and characterized crystallographically: 2-(3,3,3-trifluoro-2-oxopropyl)benzothiazole (3), 4,5,6,7-tetrafluoro-2-(3,3,3-trifluoro-2-oxopropyl)benzothiazole (4), 4,5,6,7-tetrafluoro-2-(2-hydroxyphenyl)benzothiazole (12), 2-(3,4,5,6-tetrafluoro-2-hydroxyphenyl)-4,5,6,7-tetrafluorobenzothiazole (13), and 2-(3,4,5,6-tetrafluoro-2-hydroxyphenyl)benzothiazole (16); the Cu(II) complex of ligand 4 is also reported. These are analogs of the
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