| SpectraBase Compound ID | 4M1ZaSLCUBb |
|---|---|
| InChI | InChI=1S/C8H11N3S/c1-6-3-2-4-7(5-6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12) |
| InChIKey | JDWNBXPSQBZKSC-UHFFFAOYSA-N |
| Mol Weight | 181.26 g/mol |
| Molecular Formula | C8H11N3S |
| Exact Mass | 181.067369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhyO5vzVHJ3 |
|---|---|
| Name | 3-Amino-1-(3-methylphenyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.067368540 u |
| Formula | C8H11N3S |
| InChI | InChI=1S/C8H11N3S/c1-6-3-2-4-7(5-6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12) |
| InChIKey | JDWNBXPSQBZKSC-UHFFFAOYSA-N |
| Molecular Weight | 181.257 g/mol |
| SMILES | C1(=CC=CC(=C1)NC(NN)=S)C |