![5-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-5-oxopentanoic acid](/api/spectrum/EZdMTo7miak/structure.png?h=300&w=458 "5-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-5-oxopentanoic acid")
| SpectraBase Compound ID | LCEwjpoFMOM |
|---|---|
| InChI | InChI=1S/C9H13N3O3S2/c1-2-16-9-12-11-8(17-9)10-6(13)4-3-5-7(14)15/h2-5H2,1H3,(H,14,15)(H,10,11,13) |
| InChIKey | AGLAEHFMYIMVQU-UHFFFAOYSA-N |
| Mol Weight | 275.34 g/mol |
| Molecular Formula | C9H13N3O3S2 |
| Exact Mass | 275.039834 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZdMTo7miak |
|---|---|
| Name | 5-{[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.039833636 u |
| Formula | C9H13N3O3S2 |
| InChI | InChI=1S/C9H13N3O3S2/c1-2-16-9-12-11-8(17-9)10-6(13)4-3-5-7(14)15/h2-5H2,1H3,(H,14,15)(H,10,11,13) |
| InChIKey | AGLAEHFMYIMVQU-UHFFFAOYSA-N |
| Molecular Weight | 275.341 g/mol |
| SMILES | N(C=1SC(SCC)=NN1)C(CCCC(=O)O)=O |