![3-(2-Benzofuranyl)-6-mercapto-s-triazolo[3,4-b][1,3,4]thiadiazole](/api/spectrum/LgAlOg1RapZ/structure.png?h=300&w=458 "3-(2-Benzofuranyl)-6-mercapto-s-triazolo[3,4-b][1,3,4]thiadiazole")
| SpectraBase Compound ID | KU4Kd5c1rr4 |
|---|---|
| InChI | InChI=1S/C11H6N4OS2/c17-11-14-15-9(12-13-10(15)18-11)8-5-6-3-1-2-4-7(6)16-8/h1-5H,(H,14,17) |
| InChIKey | FMFYKNLCYGUMDJ-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C11H6N4OS2 |
| Exact Mass | 273.998303 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LgAlOg1RapZ |
|---|---|
| Name | 3-(2-Benzofuranyl)-6-mercapto-s-triazolo[3,4-b][1,3,4]thiadiazole |
| Alternate Name(s) | 3-(1-benzofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl hydrosulfide 3-(1-benzofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol 3-(2-benzofuranyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione 3-(1-benzofuran-2-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione |
| Comments | Removed - expert review: contamination (sulfur)) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H6N4OS2 |
| InChI | InChI=1S/C11H6N4OS2/c17-11-14-15-9(12-13-10(15)18-11)8-5-6-3-1-2-4-7(6)16-8/h1-5H,(H,14,17) |
| InChIKey | FMFYKNLCYGUMDJ-UHFFFAOYSA-N |
| Molecular Weight | 274.316 g/mol |
| SMILES | SC1=N[n]2c(-c3oc4ccccc4c3)nnc2S1 |
| SPLASH | splash10-08fu-4960000000-b1bd12c0ef7ca7509518 |
| Source of Spectrum | Y1-31-170-2 |
| Wiley ID | 1525771 |