| SpectraBase Compound ID | AMXiPRBE2kL |
|---|---|
| InChI | InChI=1S/C3H5N3OS/c1-6-2(7)4-5-3(6)8/h1H3,(H,4,7)(H,5,8) |
| InChIKey | FDZKDNZAWDUCCO-UHFFFAOYSA-N |
| Mol Weight | 131.15 g/mol |
| Molecular Formula | C3H5N3OS |
| Exact Mass | 131.015333 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5SzQxD6oWyY |
|---|---|
| Name | 1,2,4-Triazolidin-3-one, 4-methyl-5-thioxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.015332966 u |
| Formula | C3H5N3OS |
| InChI | InChI=1S/C3H5N3OS/c1-6-2(7)4-5-3(6)8/h1H3,(H,4,7)(H,5,8) |
| InChIKey | FDZKDNZAWDUCCO-UHFFFAOYSA-N |
| SMILES | CN1C(S)=NNC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927697 |