| SpectraBase Compound ID | LKmSVdYUZS8 |
|---|---|
| InChI | InChI=1S/C8H9N3S2/c1-11-7(6-4-3-5-13-6)9-10-8(11)12-2/h3-5H,1-2H3 |
| InChIKey | GKGGLWHLQWXTQX-UHFFFAOYSA-N |
| Mol Weight | 211.3 g/mol |
| Molecular Formula | C8H9N3S2 |
| Exact Mass | 211.02379 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Sp6WzVgDfb |
|---|---|
| Name | 4-Methyl-3-(methylsulfanyl)-5-(2-thienyl)-4H-1,2,4-triazole |
| CAS Registry Number | 116850-51-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H9N3S2 |
| InChI | InChI=1S/C8H9N3S2/c1-11-7(6-4-3-5-13-6)9-10-8(11)12-2/h3-5H,1-2H3 |
| InChIKey | GKGGLWHLQWXTQX-UHFFFAOYSA-N |
| Molecular Weight | 211.301 g/mol |
| SMILES | CSc1[n](c(nn1)-c1sccc1)C |
| SPLASH | splash10-03di-7960000000-daec43edd7fe043a31bb |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 4-Methyl-3-(methylthio)-5-(2-thienyl)-1,2,4-triazole 4-Methyl-3-(methylthio)-5-(2-thienyl)-4H-1,2,4-triazole 4-Methyl-3-(methylthio)-5-thiophen-2-yl-1,2,4-triazole 4-Methyl-3-methylsulfanyl-5-(2-thienyl)-1,2,4-triazole 4-Methyl-3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazole 4H-1,2,4-Triazole, 3-methylthio-5-(2-thienyl)-4-methyl- 4H-1,2,4-triazole, 4-methyl-3-(methylthio)-5-(2-thienyl)- Methyl 4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide |
| Wiley ID | 1427593 |