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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:
Molecular Weight:
164.22
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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.

WGK

WGK 3

Flash Point(F)

>230.0 °F

Flash Point(C)

> 110 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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