![5,6-Dihydro-[1,3]dithiolo[4,5-B][1,4]dioxin-2-thione](/api/spectrum/3DSxqHWjIN5/structure.png?h=300&w=458 "5,6-Dihydro-[1,3]dithiolo[4,5-B][1,4]dioxin-2-thione")
| SpectraBase Compound ID | KflQdJfnTUd |
|---|---|
| InChI | InChI=1S/C5H4O2S3/c8-5-9-3-4(10-5)7-2-1-6-3/h1-2H2 |
| InChIKey | BPUFOIWSJHRPCW-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C5H4O2S3 |
| Exact Mass | 191.937343 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3DSxqHWjIN5 |
|---|---|
| Name | 5,6-Dihydro-[1,3]dithiolo[4,5-B][1,4]dioxin-2-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.937342889 u |
| Formula | C5H4O2S3 |
| InChI | InChI=1S/C5H4O2S3/c8-5-9-3-4(10-5)7-2-1-6-3/h1-2H2 |
| InChIKey | BPUFOIWSJHRPCW-UHFFFAOYSA-N |
| Molecular Weight | 192.265 g/mol |
| SMILES | C1=2SC(SC2OCCO1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948697 |