![1,3,4-Thiadiazol-2-amine, 5-[[(3-fluorophenyl)methyl]thio]-N-methyl-](/api/spectrum/3ArsFyJ7adk/structure.png?h=300&w=458 "1,3,4-Thiadiazol-2-amine, 5-[[(3-fluorophenyl)methyl]thio]-N-methyl-")
| SpectraBase Compound ID | BUsGO1oN9JU |
|---|---|
| InChI | InChI=1S/C10H10FN3S2/c1-12-9-13-14-10(16-9)15-6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | CDRVMYSZGNKCCC-UHFFFAOYSA-N |
| Mol Weight | 255.33 g/mol |
| Molecular Formula | C10H10FN3S2 |
| Exact Mass | 255.030018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ArsFyJ7adk |
|---|---|
| Name | 1,3,4-Thiadiazol-2-amine, 5-[[(3-fluorophenyl)methyl]thio]-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.030017845 u |
| Formula | C10H10FN3S2 |
| InChI | InChI=1S/C10H10FN3S2/c1-12-9-13-14-10(16-9)15-6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | CDRVMYSZGNKCCC-UHFFFAOYSA-N |
| Molecular Weight | 255.329 g/mol |
| SMILES | N(C=1SC(SCC=2C=CC=C(C2)F)=NN1)C |