| SpectraBase Compound ID | 1wyjSnRSszi |
|---|---|
| InChI | InChI=1S/C6H7NS/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8) |
| InChIKey | IYKXPOCKTZADOH-UHFFFAOYSA-N |
| Mol Weight | 125.19 g/mol |
| Molecular Formula | C6H7NS |
| Exact Mass | 125.02992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JIBzpOyuLuC |
|---|---|
| Name | 2(1H)-Pyridinethione, 5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.029920403 u |
| Formula | C6H7NS |
| InChI | InChI=1S/C6H7NS/c1-5-2-3-6(8)7-4-5/h2-4H,1H3,(H,7,8) |
| InChIKey | IYKXPOCKTZADOH-UHFFFAOYSA-N |
| Molecular Weight | 125.189 g/mol |
| SMILES | C=1NC(=S)C=CC1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961635 |