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Merck
CN

460281

3-Methyl-2(3H)-benzothiazolone

98%

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About This Item

Empirical Formula (Hill Notation):
C8H7NOS
CAS Number:
Molecular Weight:
165.21
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
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assay

98%

mp

74-77 °C (lit.)

functional group

thiocarbamate

SMILES string

CN1C(=O)Sc2ccccc12

InChI

1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3

InChI key

LSMMRJUHLKJNLR-UHFFFAOYSA-N

General description

3-Methyl-2(3H)-benzothiazolone is a five-membered heterocyclic compound. Its crystals belong to the orthorhombic crystal system and space group Pbca.

Application

3-Methyl-2(3H)-benzothiazolone may be used for the synthesis of 2,3-dihydro-3-methyl-2- oxobenzo[d]oxazole-6-carbaldehyde and the 2,3-dihydro-3-methyl-2-oxobenzo[d]thiazole-6-carbaldehyde. It may be used for the synthesis of imidazole derivatives having 2(3H)-benzothiazolone moiety, which are potential antifungal agents.


Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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Original TDAE reactivity in benzoxa-and benzothiazolone series.
Nadji-Boukrouche AR, et al.
ARKIVOC (Gainesville, FL, United States), 10, 358-370 (2010)
A El-Brashy et al.
International journal of biomedical science : IJBS, 2(4), 406-413 (2006-12-01)
A simple and sensitive kinetic method is described for the determination of ketoprofen in pure form, pharmaceuticals and biological fluids. The method utilizes an oxidative- coupling reaction based upon oxidation of 3-methyl-2-benzo-thiazolinone hydrazone hydrochloride (MBTH) with Ce(IV) in presence of
New imidazole derivatives of 2 (3H)-benzazolones as potential antifungal agents.
Petrov O, et al.
ChemInform, 40(31) (2009)



Global Trade Item Number

SKUGTIN
460281-1G04061832343853