Methyl 5-amino-3-(methylthio)-1H-1,2,4-triazole-1-carboximidothioate
6920
Reference
Methyl 5-amino-3-(methylthio)-1H-1,2,4-triazole-1-carboximidothioate Structure
Systematic / IUPAC Name: Methyl 5-amino-3-(methylsulfanyl)-1H-1,2,4-triazole-1-carbimidothioate
ID: Reference6920
Other Names: 1H-1,2,4-Triazole-1-carboximidothioic acid, 5-amino-3-(methylthio)-, methyl ester
Formula: C5H9N5S2
Spectral Data
Methyl 5-amino-3-(methylthio)-1H-1,2,4-triazole-1-carboximidothioate 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 | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/17/2017 7:19:44 AM |
Identificators
| InChI | InChI=1S/C5H9N5S2/c1-11-4(7)10-3(6)8-5(9-10)12-2/h7H,1-2H3,(H2,6,8,9) |
| InChI Key | LPOCJXOCUBNJPG-UHFFFAOYSA-N |
| Canonical SMILES | CSC1=NN(C(=N1)N)C(=N)SC |
| CAS | |
| Splash | |
| Other Names | 1H-1,2,4-Triazole-1-carboximidothioic acid, 5-amino-3-(methylthio)-, methyl ester |