| SpectraBase Compound ID | 7RbkqXCklFK |
|---|---|
| InChI | InChI=1S/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8) |
| InChIKey | KWRGMBARTDLYSH-UHFFFAOYSA-N |
| Mol Weight | 130.21 g/mol |
| Molecular Formula | C5H10N2S |
| Exact Mass | 130.05647 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HIseOOrchId |
|---|---|
| Name | 1-Methyltetrahydro-2(1H)-pyrimidinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.056469504 u |
| Formula | C5H10N2S |
| InChI | InChI=1S/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8) |
| InChIKey | KWRGMBARTDLYSH-UHFFFAOYSA-N |
| Molecular Weight | 130.209 g/mol |
| SMILES | N1CCCN(C1=S)C |
| Spectrum/Structure Validation Score (Raman) | 0.87383 |