| SpectraBase Compound ID | 5PJIvf5fJ7a |
|---|---|
| InChI | InChI=1S/C9H10N4S/c1-6-3-2-4-7(5-6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14) |
| InChIKey | IVNCIEVZGZDKTH-UHFFFAOYSA-N |
| Mol Weight | 206.27 g/mol |
| Molecular Formula | C9H10N4S |
| Exact Mass | 206.062618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AQRnSvQtZxu |
|---|---|
| Name | 4-Amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide |
| 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/c1-6-3-2-4-7(5-6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14) |
| InChIKey | IVNCIEVZGZDKTH-UHFFFAOYSA-N |
| Molecular Weight | 206.267 g/mol |
| SMILES | C=1(S)N(C(=NN1)C1=CC(=CC=C1)C)N |