![1,3,4-Thiadiazol-2-amine, 5-[3-(4-methylphenoxy)propyl]-](/api/spectrum/80FfuYtV0Yl/structure.png?h=300&w=458 "1,3,4-Thiadiazol-2-amine, 5-[3-(4-methylphenoxy)propyl]-")
| SpectraBase Compound ID | JJb6fOWnAe |
|---|---|
| InChI | InChI=1S/C12H15N3OS/c1-9-4-6-10(7-5-9)16-8-2-3-11-14-15-12(13)17-11/h4-7H,2-3,8H2,1H3,(H2,13,15) |
| InChIKey | KHGIGNIRJHGKMD-UHFFFAOYSA-N |
| Mol Weight | 249.33 g/mol |
| Molecular Formula | C12H15N3OS |
| Exact Mass | 249.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80FfuYtV0Yl |
|---|---|
| Name | 1,3,4-Thiadiazol-2-amine, 5-[3-(4-methylphenoxy)propyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.093583288 u |
| Formula | C12H15N3OS |
| InChI | InChI=1S/C12H15N3OS/c1-9-4-6-10(7-5-9)16-8-2-3-11-14-15-12(13)17-11/h4-7H,2-3,8H2,1H3,(H2,13,15) |
| InChIKey | KHGIGNIRJHGKMD-UHFFFAOYSA-N |
| Molecular Weight | 249.332 g/mol |
| SMILES | NC=1SC(CCCOC2=CC=C(C=C2)C)=NN1 |