| SpectraBase Compound ID | IBw5zGCVchw |
|---|---|
| InChI | InChI=1S/C7H11NOS2/c1-2-8-6(9)4-3-5-11-7(8)10/h2-5H2,1H3 |
| InChIKey | MTCXXRSTVIOVBP-UHFFFAOYSA-N |
| Mol Weight | 189.29 g/mol |
| Molecular Formula | C7H11NOS2 |
| Exact Mass | 189.028206 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3QJ6zWU2y |
|---|---|
| Name | 3-Ethyl-2-thioxo-1,3-thiazepan-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H11NOS2 |
| InChI | InChI=1S/C7H11NOS2/c1-2-8-6(9)4-3-5-11-7(8)10/h2-5H2,1H3 |
| InChIKey | MTCXXRSTVIOVBP-UHFFFAOYSA-N |
| Molecular Weight | 189.291 g/mol |
| SMILES | C1(SCCCC(N1CC)=O)=S |
| SPLASH | splash10-0udr-3900000000-cbb6eded3cd1cc441343 |
| Source of Spectrum | Y-36-1171-6 |
| Synonyms | 3-Ethyl-2-sulfanylidene-1,3-thiazepan-4-one |
| Wiley ID | 762454 |