![bis{2-[(p-Chlorobenzyl)thio]ethyl}sulfone](/api/spectrum/6p5OHSOUASc/structure.png?h=300&w=458 "bis{2-[(p-Chlorobenzyl)thio]ethyl}sulfone")
| SpectraBase Compound ID | 49S3vrzdio9 |
|---|---|
| InChI | InChI=1S/C18H20Cl2O2S3/c19-17-5-1-15(2-6-17)13-23-9-11-25(21,22)12-10-24-14-16-3-7-18(20)8-4-16/h1-8H,9-14H2 |
| InChIKey | CVLNQNUOLGEAHJ-UHFFFAOYSA-N |
| Mol Weight | 435.44 g/mol |
| Molecular Formula | C18H20Cl2O2S3 |
| Exact Mass | 434.000249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6p5OHSOUASc |
|---|---|
| Name | bis{2-[(p-Chlorobenzyl)thio]ethyl}sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.000248804 u |
| Formula | C18H20Cl2O2S3 |
| InChI | InChI=1S/C18H20Cl2O2S3/c19-17-5-1-15(2-6-17)13-23-9-11-25(21,22)12-10-24-14-16-3-7-18(20)8-4-16/h1-8H,9-14H2 |
| InChIKey | CVLNQNUOLGEAHJ-UHFFFAOYSA-N |
| Molecular Weight | 435.442 g/mol |
| SMILES | C=1(CSCCS(=O)(=O)CCSCC=2C=CC(=CC2)Cl)C=CC(=CC1)Cl |