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2-Methyl-3(2H)-isothiazolone
SpectraBase Compound ID JTseS3HE69m
InChI InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
InChIKey BEGLCMHJXHIJLR-UHFFFAOYSA-N
Mol Weight 115.15 g/mol
Molecular Formula C4H5NOS
Exact Mass 115.009185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWWJ0idZs2r
Name 2-Methyl-3(2H)-isothiazolone
Alternate Name(s) 2-Methyl-1,2-thiazol-3-one 2-Methyl-3-isothiazolone 2-Methyl-4-isothiazolin-3-one 2-Methylisothiazol-3-one 3(2H)-Isothiazolone, 2-methyl-
CAS Registry Number 2682-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5NOS
InChI InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
InChIKey BEGLCMHJXHIJLR-UHFFFAOYSA-N
Molecular Weight 115.150 g/mol
SMILES C1(N(SC=C1)C)=O
SPLASH splash10-0ap0-9200000000-90c22fb92d63fa79e01a
Source of Spectrum W6-1989-38405-27131
Wiley ID 134687