| SpectraBase Spectrum ID |
8H5aXlCyTgW |
| Name |
2-Methyl-3(2H)-Isothiazolone |
| CAS Registry Number |
2682-20-4 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
115.009184958 u |
| Formula |
C4H5NOS |
| InChI |
InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3 |
| InChIKey |
BEGLCMHJXHIJLR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
115.150 g/mol |
| Nominal Mass |
115 u |
| Quality |
860 |
| Retention Index |
849 |
| SMILES |
C1(N(SC=C1)C)=O |
| SPLASH |
splash10-0ap0-9200000000-b083fef06a07cc05ee13 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methyl-1,2-thiazol-3(2H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006961 |
