| SpectraBase Compound ID | F6wQWEagqkd |
|---|---|
| InChI | InChI=1S/C4H10O2S2/c1-8(5,6)4-2-3-7/h7H,2-4H2,1H3 |
| InChIKey | QOKNTVWLFMEUII-UHFFFAOYSA-N |
| Mol Weight | 154.24 g/mol |
| Molecular Formula | C4H10O2S2 |
| Exact Mass | 154.012222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JRxfDRSuxuK |
|---|---|
| Name | 4-Thiapentane-1-thiol - 4,4-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.012221908 u |
| Formula | C4H10O2S2 |
| InChI | InChI=1S/C4H10O2S2/c1-8(5,6)4-2-3-7/h7H,2-4H2,1H3 |
| InChIKey | QOKNTVWLFMEUII-UHFFFAOYSA-N |
| SMILES | C(S(=O)(=O)C)CCS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887434 |