![4-[4-Methyl-2-(2-thienyl)-5-thiazolyl]-2-(methylthio)pyrimidine](/api/spectrum/ELGYfUiLdTM/structure.png?h=300&w=458 "4-[4-Methyl-2-(2-thienyl)-5-thiazolyl]-2-(methylthio)pyrimidine")
| SpectraBase Compound ID | AcVtzP14Yxv |
|---|---|
| InChI | InChI=1S/C13H11N3S3/c1-8-11(9-5-6-14-13(16-9)17-2)19-12(15-8)10-4-3-7-18-10/h3-7H,1-2H3 |
| InChIKey | BGSYHOGUPMIKHR-UHFFFAOYSA-N |
| Mol Weight | 305.43 g/mol |
| Molecular Formula | C13H11N3S3 |
| Exact Mass | 305.011511 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELGYfUiLdTM |
|---|---|
| Name | 4-[4-Methyl-2-(2-thienyl)-5-thiazolyl]-2-(methylthio)pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.011510888 u |
| Formula | C13H11N3S3 |
| InChI | InChI=1S/C13H11N3S3/c1-8-11(9-5-6-14-13(16-9)17-2)19-12(15-8)10-4-3-7-18-10/h3-7H,1-2H3 |
| InChIKey | BGSYHOGUPMIKHR-UHFFFAOYSA-N |
| Molecular Weight | 305.432 g/mol |
| SMILES | C=1C(=NC(=NC1)SC)C=1SC(=NC1C)C=1SC=CC1 |