![3-chloro-N-{2-[(2-hydroxyethyl)thio]ethyl}benzo[b]thiophene-2-carboxamide](/api/spectrum/AMrYyIBdQtB/structure.png?h=300&w=458 "3-chloro-N-{2-[(2-hydroxyethyl)thio]ethyl}benzo[b]thiophene-2-carboxamide")
| SpectraBase Compound ID | 7aKNdoQMk7f |
|---|---|
| InChI | InChI=1S/C13H14ClNO2S2/c14-11-9-3-1-2-4-10(9)19-12(11)13(17)15-5-7-18-8-6-16/h1-4,16H,5-8H2,(H,15,17) |
| InChIKey | MMRRSCDBTWEQRY-UHFFFAOYSA-N |
| Mol Weight | 315.83 g/mol |
| Molecular Formula | C13H14ClNO2S2 |
| Exact Mass | 315.015449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMrYyIBdQtB |
|---|---|
| Name | 3-Chloro-N-{2-[(2-hydroxyethyl)thio]ethyl}benzo[B]thiophene-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.015448741 u |
| Formula | C13H14ClNO2S2 |
| InChI | InChI=1S/C13H14ClNO2S2/c14-11-9-3-1-2-4-10(9)19-12(11)13(17)15-5-7-18-8-6-16/h1-4,16H,5-8H2,(H,15,17) |
| InChIKey | MMRRSCDBTWEQRY-UHFFFAOYSA-N |
| SMILES | N(C(C=1SC=2C=CC=CC2C1Cl)=O)CCSCCO |