| SpectraBase Compound ID | EaeisyxCIZW |
|---|---|
| InChI | InChI=1S/C9H17N3S2/c1-10-7-5-3-4-6-8-11-12-9(13-2)14-8/h10H,3-7H2,1-2H3 |
| InChIKey | NEOFXVJELISQKU-UHFFFAOYSA-N |
| Mol Weight | 231.38 g/mol |
| Molecular Formula | C9H17N3S2 |
| Exact Mass | 231.08639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82L8r7UPAL1 |
|---|---|
| Name | 2-(5-Methylaminopentyl)-5-methylthio-1,3,4-thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.086389907 u |
| Formula | C9H17N3S2 |
| InChI | InChI=1S/C9H17N3S2/c1-10-7-5-3-4-6-8-11-12-9(13-2)14-8/h10H,3-7H2,1-2H3 |
| InChIKey | NEOFXVJELISQKU-UHFFFAOYSA-N |
| Molecular Weight | 231.376 g/mol |
| SMILES | C=1(SC(CCCCCNC)=NN1)SC |