| SpectraBase Compound ID | 5J4ygycztvO |
|---|---|
| InChI | InChI=1S/C8H6Cl2N4S/c9-4-1-2-5(6(10)3-4)7-12-13-8(15)14(7)11/h1-3H,11H2,(H,13,15) |
| InChIKey | MRAFZTIQQGCSTN-UHFFFAOYSA-N |
| Mol Weight | 261.13 g/mol |
| Molecular Formula | C8H6Cl2N4S |
| Exact Mass | 259.969023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuOXg2eJ7Jr |
|---|---|
| Name | 4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.969022783 u |
| Formula | C8H6Cl2N4S |
| InChI | InChI=1S/C8H6Cl2N4S/c9-4-1-2-5(6(10)3-4)7-12-13-8(15)14(7)11/h1-3H,11H2,(H,13,15) |
| InChIKey | MRAFZTIQQGCSTN-UHFFFAOYSA-N |
| SMILES | SC=1N(C(=NN1)C1=C(C=C(C=C1)Cl)Cl)N |