| SpectraBase Compound ID | 3sTa3BLkGqN |
|---|---|
| InChI | InChI=1S/C6H9N3S2/c1-4-5(10)7-6(11-3)9(2)8-4/h1-3H3 |
| InChIKey | LDSLHGTYJAFOAO-UHFFFAOYSA-N |
| Mol Weight | 187.28 g/mol |
| Molecular Formula | C6H9N3S2 |
| Exact Mass | 187.02379 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9m9nH1URZlG |
|---|---|
| Name | 2,6-Dimethyl-3-methylthio-5-thioxo-2,5-dihydro-1,2,4-triazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.023789650 u |
| Formula | C6H9N3S2 |
| InChI | InChI=1S/C6H9N3S2/c1-4-5(10)7-6(11-3)9(2)8-4/h1-3H3 |
| InChIKey | LDSLHGTYJAFOAO-UHFFFAOYSA-N |
| SMILES | C1(C(=NN(C(=N1)SC)C)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902832 |