2-Methyl-4-isothiazolin-3-one
7381
Reference
2-Methyl-4-isothiazolin-3-one Structure
Systematic / IUPAC Name: 2-Methyl-1,2-thiazol-3(2H)-one
ID: Reference7381
Other Names:
2-Methyl-1,2-thiazol-3-one;
2-Methyl-2H-isothiazol-3-one;
2-Methyl-3-isothiazolone;
2-Methyl-4-isothiazoline-3-one;
2-Methylisothiazol-3(2H)-one
; more
Formula: C4H5NOS
Class: Extractables/Leachables
Spectral Data
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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/28/2018 10:09:54 AM |
Identificators
| InChI | InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3 |
| InChI Key | BEGLCMHJXHIJLR-UHFFFAOYSA-N |
| Canonical SMILES | CN1C(=O)C=CS1 |
| CAS | 2682204 |
| Splash | |
| Other Names |
2-Methyl-1,2-thiazol-3-one; 2-Methyl-2H-isothiazol-3-one; 2-Methyl-3-isothiazolone; 2-Methyl-4-isothiazoline-3-one; 2-Methylisothiazol-3(2H)-one; 2-Methylisothiazol-3-one; 3(2H)-Isothiazolone, 2-methyl-; 3(2H)-Isothiazolone, methyl-; Methylisothiazolinone; N-Methyl-3-oxodihydroisothiazole |
In Other Databases
| ChEMBL | CHEMBL1620780 |
| ChemSpider | 36393 |
| ChEBI | CHEBI:53620 |
| PubChem | 39800 |
| Wikipedia | Methylisothiazolinone |
| ChemIDPlus | 002682204; 125794710 |