| SpectraBase Compound ID | 1VWA013MZwD |
|---|---|
| InChI | InChI=1S/C4H4N2OS/c7-3-1-5-2-6-4(3)8/h1-2,7H,(H,5,6,8) |
| InChIKey | VLGRISTZVCLBSD-UHFFFAOYSA-N |
| Mol Weight | 128.15 g/mol |
| Molecular Formula | C4H4N2OS |
| Exact Mass | 128.004434 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KVhWLrWP4vP |
|---|---|
| Name | 5-Hydroxy-1H-pyrimidine-6-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.004433930 u |
| Formula | C4H4N2OS |
| InChI | InChI=1S/C4H4N2OS/c7-3-1-5-2-6-4(3)8/h1-2,7H,(H,5,6,8) |
| InChIKey | VLGRISTZVCLBSD-UHFFFAOYSA-N |
| SMILES | C=1(C(N=CNC1)=S)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910176 |