| SpectraBase Compound ID | 7X20eBIqIEX |
|---|---|
| InChI | InChI=1S/C11H17N3O2S2/c1-2-3-8-13-11(17)14-18(15,16)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,17) |
| InChIKey | PZFLQOPWMWYYPB-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C11H17N3O2S2 |
| Exact Mass | 287.076219 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ylkbrIQyp6 |
|---|---|
| Name | 1-Butyl-3-sulfanilyl-2-thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.076219145 u |
| Formula | C11H17N3O2S2 |
| InChI | InChI=1S/C11H17N3O2S2/c1-2-3-8-13-11(17)14-18(15,16)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,17) |
| InChIKey | PZFLQOPWMWYYPB-UHFFFAOYSA-N |
| Molecular Weight | 287.396 g/mol |
| SMILES | NC1=CC=C(S(=O)(=O)NC(NCCCC)=S)C=C1 |