![1H-1,2,4-Triazole, 5-[(2-chloroethyl)thio]-](/api/spectrum/3szWDCusY0b/structure.png?h=300&w=458 "1H-1,2,4-Triazole, 5-[(2-chloroethyl)thio]-")
| SpectraBase Compound ID | 4vHAsZS1jAd |
|---|---|
| InChI | InChI=1S/C4H6ClN3S/c5-1-2-9-4-6-3-7-8-4/h3H,1-2H2,(H,6,7,8) |
| InChIKey | ICJXRBNIUDMKIY-UHFFFAOYSA-N |
| Mol Weight | 163.63 g/mol |
| Molecular Formula | C4H6ClN3S |
| Exact Mass | 162.997096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3szWDCusY0b |
|---|---|
| Name | 1H-1,2,4-Triazole, 5-[(2-chloroethyl)thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.997096079 u |
| Formula | C4H6ClN3S |
| InChI | InChI=1S/C4H6ClN3S/c5-1-2-9-4-6-3-7-8-4/h3H,1-2H2,(H,6,7,8) |
| InChIKey | ICJXRBNIUDMKIY-UHFFFAOYSA-N |
| Molecular Weight | 163.626 g/mol |
| SMILES | C(Cl)CSC1=NC=NN1 |