5-Chloro-2-methyl-4-isothiazolin-3-one

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Systematic / IUPAC Name: 5-Chloro-2-methyl-1,2-thiazol-3(2H)-one

ID: Reference983

Other Names: Methylchloroisothiazolinone;
5-Chloro-2-methyl-3(2H)-isothiazolone;
3(2H)-Isothiazolone, 5-chloro-2-methyl-;
5-Chloro-2-methyl-2H-isothiazol-3-one;
5-Chloro-2-methylisothiazol-3(2H)-one ; more

Formula: C4H4ClNOS

Class: Excipients/Additives/Colorants

Spectral Data

5-Chloro-2-methyl-4-isothiazolin-3-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 1
No. of Spectra 92
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/1/2014 10:52:37 AM
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Identificators

InChI InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
InChI Key DHNRXBZYEKSXIM-UHFFFAOYSA-N
Canonical SMILES CN1C(=O)C=C(S1)Cl
CAS 26172554
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Other Names Methylchloroisothiazolinone;
5-Chloro-2-methyl-3(2H)-isothiazolone;
3(2H)-Isothiazolone, 5-chloro-2-methyl-;
5-Chloro-2-methyl-2H-isothiazol-3-one;
5-Chloro-2-methylisothiazol-3(2H)-one;
4-Isothiazolin-3-one, 5-chloro-2-methyl-;
5-Chloro-N-methylisothiazolone;
2-Methyl-5-chloro-3-isothiazolone;
5-Chloro-2-methyl-3-isothiazolone

In Other Databases

ChemIDPlus 026172554; 055965849
PubChem 33344
ChEBI CHEBI:53621
Wikipedia Methylchloroisothiazolinone
ChemSpider 30800