| SpectraBase Compound ID | Jjuo4z66AWX |
|---|---|
| InChI | InChI=1S/C5H7N3S2/c1-2-3-6-4-7-8-5(9)10-4/h2H,1,3H2,(H,6,7)(H,8,9) |
| InChIKey | LJMZTBZTHWQFST-UHFFFAOYSA-N |
| Mol Weight | 173.25 g/mol |
| Molecular Formula | C5H7N3S2 |
| Exact Mass | 173.00814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6TNe6IxVB6e |
|---|---|
| Name | 5-(Allylamino)-1,3,4-thiadiazole-2(3H)-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.008139585 u |
| Formula | C5H7N3S2 |
| InChI | InChI=1S/C5H7N3S2/c1-2-3-6-4-7-8-5(9)10-4/h2H,1,3H2,(H,6,7)(H,8,9) |
| InChIKey | LJMZTBZTHWQFST-UHFFFAOYSA-N |
| Molecular Weight | 173.252 g/mol |
| SMILES | C1(SC(=NN1)NCC=C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942017 |