CID 2735343

4-amino-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C2H4N4S
SMILES
C1=NNC(=S)N1N
InChI
InChI=1S/C2H4N4S/c3-6-1-4-5-2(6)7/h1H,3H2,(H,5,7)
InChIKey
DLLBXBCKFUPBJE-UHFFFAOYSA-N
Compound name
4-amino-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

397
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 129.5
[M+NH4]+ 134.04949 126.7
[M+K]+ 154.97883 125.0
[M-H]- 115.00839 118.9
[M+Na-2H]- 136.99034 123.5
[M]+ 116.01512 120.6
[M]- 116.01622 120.6
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