| SpectraBase Compound ID | DRlVSiCsbC5 |
|---|---|
| InChI | InChI=1S/C9H9N3O2S2/c1-7-10-11-9(15-7)12-16(13,14)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12) |
| InChIKey | FLMLWJCFQHOYSE-UHFFFAOYSA-N |
| Mol Weight | 255.31 g/mol |
| Molecular Formula | C9H9N3O2S2 |
| Exact Mass | 255.013619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yaNI2YZcuL |
|---|---|
| Name | 2-Methyl-5-phenylsulfonylamino-1,3,4-thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.013618888 u |
| Formula | C9H9N3O2S2 |
| InChI | InChI=1S/C9H9N3O2S2/c1-7-10-11-9(15-7)12-16(13,14)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12) |
| InChIKey | FLMLWJCFQHOYSE-UHFFFAOYSA-N |
| Molecular Weight | 255.310 g/mol |
| SMILES | C1(=CC=CC=C1)S(NC=1SC(=NN1)C)(=O)=O |