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
4
Annotation Hits

25
References

5010
Patents

116.01567 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02295 119.2
[M+Na]+ 139.00489 128.9
[M+NH4]+ 134.04949 126.3
[M+K]+ 154.97883 124.8
[M-H]- 115.00839 118.3
[M+Na-2H]- 136.99034 122.9
[M]+ 116.01512 120.3
[M]- 116.01622 120.3
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