| SpectraBase Spectrum ID |
B8gZX7I5ENz |
| Name |
2-(4-Methylphenyl)-5H-1,3,4-thiadiazolo[3,2-A]pyrimidin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.046633095 u |
| Formula |
C12H9N3OS |
| InChI |
InChI=1S/C12H9N3OS/c1-8-2-4-9(5-3-8)11-14-15-10(16)6-7-13-12(15)17-11/h2-7H,1H3 |
| InChIKey |
MKSBUSWNPZOIIU-UHFFFAOYSA-N |
| Molecular Weight |
243.284 g/mol |
| SMILES |
C12=NC=CC(N2N=C(S1)C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924542 |
![2-(4-Methylphenyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one](/api/spectrum/B8gZX7I5ENz/structure.png?h=300&w=458 "2-(4-Methylphenyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one")
