| SpectraBase Spectrum ID |
9eRrrCVGkGn |
| Name |
8-Fluoro-5-methoxy-2H-[1,2,4]triazolo[4,3-C]pyrimidine-3-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.016810133 u |
| Formula |
C6H5FN4OS |
| InChI |
InChI=1S/C6H5FN4OS/c1-12-5-8-2-3(7)4-9-10-6(13)11(4)5/h2H,1H3,(H,10,13) |
| InChIKey |
BMMSPZWKTCWKBD-UHFFFAOYSA-N |
| Molecular Weight |
200.191 g/mol |
| SMILES |
COC=1N2C(C(=CN1)F)=NNC2=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921183 |
![8-Fluoro-5-methoxy-2H-[1,2,4]triazolo[4,3-C]pyrimidine-3-thione](/api/spectrum/9eRrrCVGkGn/structure.png?h=300&w=458 "8-Fluoro-5-methoxy-2H-[1,2,4]triazolo[4,3-C]pyrimidine-3-thione")
