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122394

Sigma-Aldrich

Thiochroman-4-one

97%

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About This Item

Empirical Formula (Hill Notation):
C9H8OS
CAS Number:
3528-17-4
Molecular Weight:
164.22
EC Number:
222-548-1
MDL number:
MFCD00006882
UNSPSC Code:
12352100
PubChem Substance ID:
24847485
NACRES:
NA.22

Quality Level

100

assay

97%

form

solid

refractive index

n20/D 1.6395 (lit.)

bp

154 °C/12 mmHg (lit.)

mp

28-30 °C (lit.)

functional group

ketone
thioether

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)

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6176
STBF5174V
15608LD
11709HD
S28830

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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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