CID 2723869

3-amino-5-mercapto-1,2,4-triazole

Structural Information

Molecular Formula
C2H4N4S
SMILES
C1(=NC(=S)NN1)N
InChI
InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
InChIKey
WZUUZPAYWFIBDF-UHFFFAOYSA-N
Compound name
5-amino-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

25
References

5143
Patents

116.01567 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.022946 118.7
[M+Na]+ 139.004888 129.3
[M-H]- 115.008394 116.3
[M+NH4]+ 134.049493 138.1
[M+K]+ 154.978828 125.2
[M+H-H2O]+ 99.012930 112.5
[M+HCOO]- 161.013871 134.7
[M+CH3COO]- 175.029521 131.7
[M+Na-2H]- 136.990336 121.9
[M]+ 116.01512142 114.8
[M]- 116.01621858 114.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe