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%
InChI
1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
SMILES string
CN1C(=O)Sc2ccccc12
InChI key
LSMMRJUHLKJNLR-UHFFFAOYSA-N
assay
98%
mp
74-77 °C (lit.)
functional group
thiocarbamate
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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