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About This Item
Empirical Formula (Hill Notation):
C9H8OS
CAS Number:
Molecular Weight:
164.22
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
assay
97%
form
solid
refractive index
n20/D 1.6395 (lit.)
bp
154 °C/12 mmHg (lit.)
mp
28-30 °C (lit.)
SMILES string
O=C1CCSc2ccccc12
InChI
1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChI key
CVQSWZMJOGOPAV-UHFFFAOYSA-N
Application
Thiochroman-4-one was used as the starting reactant for synthesis of series of pyrazoles and isoxazoles.
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
>230.0 °F - closed cup
flash_point_c
> 110 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
Certificates of Analysis (COA)
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K Ramalingam et al.
Journal of medicinal chemistry, 20(6), 847-850 (1977-06-01)
A small series of pyrazoles and isoxazoles derived from thiochroman-4-one has been synthesized and characterized. The compounds were examined for their in vitro inhibitory activity against Bacillus subtilis and Pseudomonas fluorescens. Among the tested compounds the pyrazole derivative from thiochroman-4-one
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