| SpectraBase Compound ID | Iqa0fLQCWbU |
|---|---|
| InChI | InChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6) |
| InChIKey | BHPYMZQTCPRLNR-UHFFFAOYSA-N |
| Mol Weight | 100.14 g/mol |
| Molecular Formula | C3H4N2S |
| Exact Mass | 100.009519 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1mIdnwCZnPC |
|---|---|
| Name | 2-Cyanothioacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.009519311 u |
| Formula | C3H4N2S |
| InChI | InChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6) |
| InChIKey | BHPYMZQTCPRLNR-UHFFFAOYSA-N |
| Molecular Weight | 100.139 g/mol |
| SMILES | NC(CC#N)=S |
| Spectrum/Structure Validation Score (Raman) | 0.885743 |