![5-{[4-(Trifluoromethoxy)phenyl]amino}-1,3,4-thiadiazole-2-thiol](/api/spectrum/LwYH5GLw6LX/structure.png?h=300&w=458 "5-{[4-(Trifluoromethoxy)phenyl]amino}-1,3,4-thiadiazole-2-thiol")
| SpectraBase Compound ID | BLuou0VgJAv |
|---|---|
| InChI | InChI=1S/C9H6F3N3OS2/c10-9(11,12)16-6-3-1-5(2-4-6)13-7-14-15-8(17)18-7/h1-4H,(H,13,14)(H,15,17) |
| InChIKey | GTDUUNRMQJZYGJ-UHFFFAOYSA-N |
| Mol Weight | 293.28 g/mol |
| Molecular Formula | C9H6F3N3OS2 |
| Exact Mass | 292.990439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwYH5GLw6LX |
|---|---|
| Name | 5-{[4-(Trifluoromethoxy)phenyl]amino}-1,3,4-thiadiazole-2-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.990438661 u |
| Formula | C9H6F3N3OS2 |
| InChI | InChI=1S/C9H6F3N3OS2/c10-9(11,12)16-6-3-1-5(2-4-6)13-7-14-15-8(17)18-7/h1-4H,(H,13,14)(H,15,17) |
| InChIKey | GTDUUNRMQJZYGJ-UHFFFAOYSA-N |
| Molecular Weight | 293.282 g/mol |
| SMILES | C(F)(F)(F)OC1=CC=C(C=C1)NC=1SC(=NN1)S |