![Methyl [(5-amino-1,3,4-thiadiazol-2-yl)thio]acetate](/api/spectrum/A7AYVr1hGZ9/structure.png?h=300&w=458 "Methyl [(5-amino-1,3,4-thiadiazol-2-yl)thio]acetate")
| SpectraBase Compound ID | HQBV9ksZouW |
|---|---|
| InChI | InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7) |
| InChIKey | ASSFIPIQXCHMOD-UHFFFAOYSA-N |
| Mol Weight | 205.25 g/mol |
| Molecular Formula | C5H7N3O2S2 |
| Exact Mass | 204.997969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7AYVr1hGZ9 |
|---|---|
| Name | Methyl [(5-amino-1,3,4-thiadiazol-2-yl)thio]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.997968823 u |
| Formula | C5H7N3O2S2 |
| InChI | InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7) |
| InChIKey | ASSFIPIQXCHMOD-UHFFFAOYSA-N |
| Molecular Weight | 205.250 g/mol |
| SMILES | C(SC1=NN=C(S1)N)C(OC)=O |