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3-Methyl-isothiazole

View entire compound with spectra: 7 NMR, 1 FTIR, and 1 MS (GC)

3-Methyl-isothiazole
SpectraBase Compound ID DBcmDT9zFEW
InChI InChI=1S/C4H5NS/c1-4-2-3-6-5-4/h2-3H,1H3
InChIKey WOTIUKDGJBXFLG-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BYE44C0hYTb
Name 3-METHYLISOTHIAZOLE
Source of Sample Hd. Hofmann, Hans J. Zimmer AG., Frankfurt (Main), Germany
Boiling Point 134C
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5NS
InChI InChI=1S/C4H5NS/c1-4-2-3-6-5-4/h2-3H,1H3
InChIKey WOTIUKDGJBXFLG-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 64, 12659(1966)
Melting Point -54C
Molecular Weight 99.151001
Synonyms ISOTHIAZOLE, 3-METHYL-,
Technique CAPILLARY CELL: NEAT