![1-Methyl-3-[p-piperidinosulfonyl)phenyl]-2-thiourea](/api/spectrum/HGyTNxApu5J/structure.png?h=300&w=458 "1-Methyl-3-[p-piperidinosulfonyl)phenyl]-2-thiourea")
| SpectraBase Compound ID | IgSPwUeXPTR |
|---|---|
| InChI | InChI=1S/C13H19N3O2S2/c1-14-13(19)15-11-5-7-12(8-6-11)20(17,18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H2,14,15,19) |
| InChIKey | PRFRHIHMHOCVKV-UHFFFAOYSA-N |
| Mol Weight | 313.43 g/mol |
| Molecular Formula | C13H19N3O2S2 |
| Exact Mass | 313.091869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGyTNxApu5J |
|---|---|
| Name | 1-Methyl-3-[p-piperidinosulfonyl)phenyl]-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.091869210 u |
| Formula | C13H19N3O2S2 |
| InChI | InChI=1S/C13H19N3O2S2/c1-14-13(19)15-11-5-7-12(8-6-11)20(17,18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H2,14,15,19) |
| InChIKey | PRFRHIHMHOCVKV-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1)S(=O)(=O)N1CCCCC1)C(NC)=S |