| SpectraBase Compound ID | 8bMCVbBKfDi |
|---|---|
| InChI | InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14) |
| InChIKey | CUEYNOAJNUCBAP-UHFFFAOYSA-N |
| Mol Weight | 206.27 g/mol |
| Molecular Formula | C9H10N4S |
| Exact Mass | 206.062618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35bSj0jgIIS |
|---|---|
| Name | 4-Amino-5-(2-methylphenyl)-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 | 206.062617512 u |
| Formula | C9H10N4S |
| InChI | InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14) |
| InChIKey | CUEYNOAJNUCBAP-UHFFFAOYSA-N |
| Molecular Weight | 206.267 g/mol |
| SMILES | C=1(S)N(C(=NN1)C1=C(C=CC=C1)C)N |