![Thiourea, 1-phenyl-3-[imino-(methylthio)methyl]-](/api/spectrum/LhQAbmyP6C4/structure.png?h=300&w=458 "Thiourea, 1-phenyl-3-[imino-(methylthio)methyl]-")
| SpectraBase Compound ID | 4g7T4rJUC5O |
|---|---|
| InChI | InChI=1S/C9H11N3S2/c1-14-8(10)12-9(13)11-7-5-3-2-4-6-7/h2-6H,1H3,(H3,10,11,12,13) |
| InChIKey | JNTVFBJMHSGJPK-UHFFFAOYSA-N |
| Mol Weight | 225.33 g/mol |
| Molecular Formula | C9H11N3S2 |
| Exact Mass | 225.03944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhQAbmyP6C4 |
|---|---|
| Name | Thiourea, 1-phenyl-3-[imino-(methylthio)methyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.039439714 u |
| Formula | C9H11N3S2 |
| InChI | InChI=1S/C9H11N3S2/c1-14-8(10)12-9(13)11-7-5-3-2-4-6-7/h2-6H,1H3,(H3,10,11,12,13) |
| InChIKey | JNTVFBJMHSGJPK-UHFFFAOYSA-N |
| Molecular Weight | 225.328 g/mol |
| SMILES | C1=CC(N\C(=N\C(SC)=N)S)=CC=C1 |