![1-piperazinecarbothioamide, N-methyl-4-[2-(4-pyridinyl)ethyl]-](/api/spectrum/1XJ6l4oGKtA/structure.png?h=300&w=458 "1-piperazinecarbothioamide, N-methyl-4-[2-(4-pyridinyl)ethyl]-")
| SpectraBase Compound ID | 4hPxTE6sOe5 |
|---|---|
| InChI | InChI=1S/C13H20N4S/c1-14-13(18)17-10-8-16(9-11-17)7-4-12-2-5-15-6-3-12/h2-3,5-6H,4,7-11H2,1H3,(H,14,18) |
| InChIKey | APRZABMWPLPLMV-UHFFFAOYSA-N |
| Mol Weight | 264.39 g/mol |
| Molecular Formula | C13H20N4S |
| Exact Mass | 264.140868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XJ6l4oGKtA |
|---|---|
| Name | 1-Piperazinecarbothioamide, N-methyl-4-[2-(4-pyridinyl)ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.140867834 u |
| Formula | C13H20N4S |
| InChI | InChI=1S/C13H20N4S/c1-14-13(18)17-10-8-16(9-11-17)7-4-12-2-5-15-6-3-12/h2-3,5-6H,4,7-11H2,1H3,(H,14,18) |
| InChIKey | APRZABMWPLPLMV-UHFFFAOYSA-N |
| Molecular Weight | 264.391 g/mol |
| SMILES | N(C(N1CCN(CC1)CCC1=CC=NC=C1)=S)C |