| SpectraBase Spectrum ID |
JF3ti0XVIjw |
| Name |
Methimazole |
| CAS Registry Number |
60-56-0 |
| Classification |
Thyreostatic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
114.025169375 u |
| Formula |
C4H6N2S |
| InChI |
InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) |
| InChIKey |
PMRYVIKBURPHAH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
114.166 g/mol |
| Nominal Mass |
114 u |
| Quality |
988 |
| Retention Index |
950 |
| SMILES |
C=1(N(C=CN1)C)S |
| SPLASH |
splash10-03di-5900000000-c1c86f760a605775391e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Thiamazole
1-Methyl-3H-imidazole-2-thione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001960 |
