| SpectraBase Compound ID | Bc6hNJrhs2O |
|---|---|
| InChI | InChI=1S/C6H8N2S2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 |
| InChIKey | FZDDINAXVQRZHF-UHFFFAOYSA-N |
| Mol Weight | 172.26 g/mol |
| Molecular Formula | C6H8N2S2 |
| Exact Mass | 172.012891 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6l6ZX2wqKX |
|---|---|
| Name | 1,3-Dimethyl-2,4-dithiouracil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.012890614 u |
| Formula | C6H8N2S2 |
| InChI | InChI=1S/C6H8N2S2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 |
| InChIKey | FZDDINAXVQRZHF-UHFFFAOYSA-N |
| Molecular Weight | 172.264 g/mol |
| SMILES | CN1C(=S)N(C)C(=S)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941283 |