| SpectraBase Compound ID | F3llCkqkrc3 |
|---|---|
| InChI | InChI=1S/C4H5NOS/c1-7-4(6)2-3-5/h2H2,1H3 |
| InChIKey | ZOZZLVLVNYDSML-UHFFFAOYSA-N |
| Mol Weight | 115.15 g/mol |
| Molecular Formula | C4H5NOS |
| Exact Mass | 115.009185 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5uYkZxKT6jy |
|---|---|
| Name | 2-cyanoethanethioic acid S-methyl ester |
| Alternate Name(s) | S-methyl 2-cyanoethanethioate |
| CAS Registry Number | 111503-78-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C4H5NOS |
| InChI | InChI=1S/C4H5NOS/c1-7-4(6)2-3-5/h2H2,1H3 |
| InChIKey | ZOZZLVLVNYDSML-UHFFFAOYSA-N |
| Molecular Weight | 115.150 g/mol |
| SMILES | C(#N)CC(=O)SC |
| SPLASH | splash10-016r-9200000000-8903ade03de334479791 |
| Source of Spectrum | J-56-975-30 |
| Wiley ID | 1124987 |