![(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)acetonitrile](/api/spectrum/65h2MCFJw7m/structure.png?h=300&w=458 "(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)acetonitrile")
| SpectraBase Compound ID | Ltt864WfB7D |
|---|---|
| InChI | InChI=1S/C5H5N3S2/c1-4-7-8-5(10-4)9-3-2-6/h3H2,1H3 |
| InChIKey | DDBHPPLLULBDFP-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C5H5N3S2 |
| Exact Mass | 170.99249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65h2MCFJw7m |
|---|---|
| Name | (5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.992489521 u |
| Formula | C5H5N3S2 |
| InChI | InChI=1S/C5H5N3S2/c1-4-7-8-5(10-4)9-3-2-6/h3H2,1H3 |
| InChIKey | DDBHPPLLULBDFP-UHFFFAOYSA-N |
| SMILES | C1(=NN=C(S1)SCC#N)C |