| SpectraBase Compound ID | JyRwrPh48ho |
|---|---|
| InChI | InChI=1S/C8H10N2S3/c1-3-4-12-7-6(5-9)8(11-2)13-10-7/h3-4H2,1-2H3 |
| InChIKey | LGKPRMWLZJJIDT-UHFFFAOYSA-N |
| Mol Weight | 230.36 g/mol |
| Molecular Formula | C8H10N2S3 |
| Exact Mass | 230.000612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2EjgBJhRSJJ |
|---|---|
| Name | 4-Isothiazolecarbonitrile, 5-(methylthio)-3-(propylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.000611852 u |
| Formula | C8H10N2S3 |
| InChI | InChI=1S/C8H10N2S3/c1-3-4-12-7-6(5-9)8(11-2)13-10-7/h3-4H2,1-2H3 |
| InChIKey | LGKPRMWLZJJIDT-UHFFFAOYSA-N |
| Molecular Weight | 230.362 g/mol |
| SMILES | C1(=NSC(=C1C#N)SC)SCCC |