| SpectraBase Compound ID | IKqrRov5zTu |
|---|---|
| InChI | InChI=1S/C8H7NS2/c1-6-5-8(11-9-6)7-3-2-4-10-7/h2-5H,1H3 |
| InChIKey | BIKHAOXTPKIIRE-UHFFFAOYSA-N |
| Mol Weight | 181.27 g/mol |
| Molecular Formula | C8H7NS2 |
| Exact Mass | 181.001992 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 26IqGSh1BXT |
|---|---|
| Name | 3-Methyl-5-(2-thienyl)isothiazole |
| CAS Registry Number | 56421-64-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NS2 |
| InChI | InChI=1S/C8H7NS2/c1-6-5-8(11-9-6)7-3-2-4-10-7/h2-5H,1H3 |
| InChIKey | BIKHAOXTPKIIRE-UHFFFAOYSA-N |
| Molecular Weight | 181.271 g/mol |
| SMILES | c1(snc(c1)C)-c1sccc1 |
| SPLASH | splash10-001i-3900000000-9e470216e3d92eee8762 |
| Source of Spectrum | J-40-3186-6 |
| Wiley ID | 1177295 |