| SpectraBase Compound ID | L6IQjZhR75I |
|---|---|
| InChI | InChI=1S/C5H5NS/c1-2-3-4-6-5-7/h3H,1,4H2 |
| InChIKey | JNOPPMXXJJHQTG-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C5H6NS |
| Exact Mass | 112.022095 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5uA6GYYNXVT |
|---|---|
| Name | Buta-2,3-dienylimino-thioxo-methane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.022095371 u |
| Formula | C5H6NS |
| InChI | InChI=1S/C5H5NS/c1-2-3-4-6-5-7/h3H,1,4H2 |
| InChIKey | JNOPPMXXJJHQTG-UHFFFAOYSA-N |
| Molecular Weight | 112.170 g/mol |
| Nominal Mass | 112 u |
| SMILES | [CH3]=C=CCN=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939231 |