![2-Mercapto-N-[2-(methylthio)phenyl]ethanamide](/api/spectrum/Bux55wVJLgH/structure.png?h=300&w=458 "2-Mercapto-N-[2-(methylthio)phenyl]ethanamide")
| SpectraBase Compound ID | GkPnHA7I10h |
|---|---|
| InChI | InChI=1S/C9H11NOS2/c1-13-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3,(H,10,11) |
| InChIKey | PUCALJVGIDKMGV-UHFFFAOYSA-N |
| Mol Weight | 213.31 g/mol |
| Molecular Formula | C9H11NOS2 |
| Exact Mass | 213.028206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bux55wVJLgH |
|---|---|
| Name | 2-Mercapto-N-[2-(methylthio)phenyl]ethanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.028206325 u |
| Formula | C9H11NOS2 |
| InChI | InChI=1S/C9H11NOS2/c1-13-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3,(H,10,11) |
| InChIKey | PUCALJVGIDKMGV-UHFFFAOYSA-N |
| Molecular Weight | 213.313 g/mol |
| SMILES | C=1(NC(=O)CS)C(SC)=CC=CC1 |