| SpectraBase Compound ID | ICP2MlyKvUj |
|---|---|
| InChI | InChI=1S/C5H5N3O2S2/c1-12(9,10)5-3(2-6)4(7)11-8-5/h7H2,1H3 |
| InChIKey | PGTYPIQIDFAKCQ-UHFFFAOYSA-N |
| Mol Weight | 203.23 g/mol |
| Molecular Formula | C5H5N3O2S2 |
| Exact Mass | 202.982319 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TMnymU9GOR |
|---|---|
| Name | 5-Amino-4-cyano-3-methylsulphonyl-isothiazole |
| CAS Registry Number | 35605-03-9 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C5H5N3O2S2 |
| InChI | InChI=1S/C5H5N3O2S2/c1-12(9,10)5-3(2-6)4(7)11-8-5/h7H2,1H3 |
| InChIKey | PGTYPIQIDFAKCQ-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-90 |
| NMR Standard | DMSO-D6 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |