![3-(Methylthio)-2-[(methylthio)methyl]-1-propene](/api/spectrum/DjXcgdp6tUo/structure.png?h=300&w=458 "3-(Methylthio)-2-[(methylthio)methyl]-1-propene")
| SpectraBase Compound ID | GDU2njZDJZb |
|---|---|
| InChI | InChI=1S/C6H12S2/c1-6(4-7-2)5-8-3/h1,4-5H2,2-3H3 |
| InChIKey | XBKBHMPWTPSOPN-UHFFFAOYSA-N |
| Mol Weight | 148.28 g/mol |
| Molecular Formula | C6H12S2 |
| Exact Mass | 148.038043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DjXcgdp6tUo |
|---|---|
| Name | 3-(Methylthio)-2-[(methylthio)methyl]-1-propene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.038042734 u |
| Formula | C6H12S2 |
| InChI | InChI=1S/C6H12S2/c1-6(4-7-2)5-8-3/h1,4-5H2,2-3H3 |
| InChIKey | XBKBHMPWTPSOPN-UHFFFAOYSA-N |
| Molecular Weight | 148.282 g/mol |
| SMILES | C=C(CSC)CSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820348 |