5-(1-Adamantyl)-4H-1,2,4-triazole-3-thiol
3959
Reference
5-(1-Adamantyl)-4H-1,2,4-triazole-3-thiol Structure
Systematic / IUPAC Name: 5-(Adamantan-1-yl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
ID: Reference3959
Other Names: 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-tricyclo[3.3.1.13,7]dec-1-yl-
Formula: C12H17N3S
Spectral Data
5-(1-Adamantyl)-4H-1,2,4-triazole-3-thiol 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 | 2 |
| No. of Spectra | 234 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/26/2016 7:21:22 AM |
Identificators
| InChI | InChI=1S/C12H17N3S/c16-11-13-10(14-15-11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H2,13,14,15,16) |
| InChI Key | WKRWTBCGOUPNAO-UHFFFAOYSA-N |
| Canonical SMILES | C1C2CC3CC1CC(C2)(C3)C4=NC(=S)NN4 |
| CAS | |
| Splash | |
| Other Names | 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-tricyclo[3.3.1.13,7]dec-1-yl- |
In Other Databases
| ChemSpider | 2008575 |
| PubChem | 2726513 |
| ChEMBL | CHEMBL1530327 |