| SpectraBase Compound ID | IXKtxpNPaRa |
|---|---|
| InChI | InChI=1S/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3H |
| InChIKey | OCYPFRDEUKBLNI-UHFFFAOYSA-N |
| Mol Weight | 110.13 g/mol |
| Molecular Formula | C4H2N2S |
| Exact Mass | 109.993869 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6kLfKQIlXs |
|---|---|
| Name | 4-Isothiazolecarbonitrile |
| CAS Registry Number | 3912-37-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C4H2N2S |
| InChI | InChI=1S/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3H |
| InChIKey | OCYPFRDEUKBLNI-UHFFFAOYSA-N |
| Molecular Weight | 110.134 g/mol |
| SMILES | c1(C#N)csnc1 |
| SPLASH | splash10-01q9-9600000000-d1acd745a16b244f248b |
| Source of Spectrum | I-68-651-0 |
| Synonyms | 1,2-thiazole-4-carbonitrile isothiazole-4-carbonitrile |
| Wiley ID | 1122260 |