| SpectraBase Compound ID | 1ftlB8um0XU |
|---|---|
| InChI | InChI=1S/C5H7NS/c1-4-3-7-6-5(4)2/h3H,1-2H3 |
| InChIKey | OLICQMSZRKFIIN-UHFFFAOYSA-N |
| Mol Weight | 113.18 g/mol |
| Molecular Formula | C5H7NS |
| Exact Mass | 113.02992 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KyGB4KYQTLI |
|---|---|
| Name | Isothiazole, 3,4-dimethyl- |
| CAS Registry Number | 27330-46-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H7NS |
| InChI | InChI=1S/C5H7NS/c1-4-3-7-6-5(4)2/h3H,1-2H3 |
| InChIKey | OLICQMSZRKFIIN-UHFFFAOYSA-N |
| Molecular Weight | 113.178 g/mol |
| SMILES | Cc1csnc1C |
| SPLASH | splash10-03k9-9600000000-e9b864f63de7b30a9a12 |
| Source of Spectrum | AC-72-3833-7 |
| Synonyms | 3,4-Dimethyl-1,2-thiazole 3,4-Dimethylisothiazole |
| Wiley ID | 1123858 |