101338
Benzothiazole
96%
Synonym(s):
1,3-Benzothiazole, Benzosulfonazole
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About This Item
Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
Molecular Weight:
135.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-396-2
Beilstein/REAXYS Number:
109468
MDL number:
Assay:
96%
vapor density
4.66 (vs air)
Quality Level
vapor pressure
34 mmHg ( 131 °C)
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
Application
Interesting carbonyl equivalent. Reacts with aldehydes or ketones to generate α-hydroxy carbonyl compounds.
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signalword
Danger
hcodes
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
WGK 2
flash_point_f
224.6 °F - Pensky-Martens closed cup
flash_point_c
107 °C - Pensky-Martens closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Bulletin of the Chemical Society of Japan, 61, 3637-3637 (1988)
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 101338-500G | 04061838667793 |
| 101338-100G | 04061838667779 |
| 101338-5G | 04061838667809 |