5-[(2,6-Dichlorobenzyl)thio]-1H-1,2,4-triazol-3-amine
5-[(2,6-Dichlorobenzyl)thio]-1H-1,2,4-triazol-3-amine Structure
Systematic / IUPAC Name: 3-[(2,6-Dichlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine
ID: Reference6843
Other Names:
3-[(2,6-Dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine;
5-[(2,6-Dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-ylamine;
5-[(2,6-Dichlorobenzyl)thio]-4H-1,2,4-triazol-3-amine;
5-[(2,6-Dichlorophenyl)methylthio]-4H-1,2,4-triazole-3-ylamine;
5-{[(2,6-Dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-3-amine
Formula: C9H8Cl2N4S
Spectral Data
5-[(2,6-Dichlorobenzyl)thio]-1H-1,2,4-triazol-3-amine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/20/2017 7:40:35 AM |
Identificators
| InChI | InChI=1S/C9H8Cl2N4S/c10-6-2-1-3-7(11)5(6)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15) |
| InChI Key | QBRKGCKKPOXXRO-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NNC(=N2)N)Cl |
| CAS | |
| Splash | |
| Other Names |
3-[(2,6-Dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine; 5-[(2,6-Dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-ylamine; 5-[(2,6-Dichlorobenzyl)thio]-4H-1,2,4-triazol-3-amine; 5-[(2,6-Dichlorophenyl)methylthio]-4H-1,2,4-triazole-3-ylamine; 5-{[(2,6-Dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-3-amine |
In Other Databases
| PubChem | 732060 |
| ChemSpider | 639564 |
| ChEMBL | CHEMBL1487208 |