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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
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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
>230.0 °F - closed cup
Flash Point(C)
> 110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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