CID 7175984

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

Structural Information

Molecular Formula
C4H8N4S
SMILES
CCN1C(=NNC1=S)N
InChI
InChI=1S/C4H8N4S/c1-2-8-3(5)6-7-4(8)9/h2H2,1H3,(H2,5,6)(H,7,9)
InChIKey
TUBVLGUNZZJXER-UHFFFAOYSA-N
Compound name
3-amino-4-ethyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

144.04697 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.054246 127.0
[M+Na]+ 167.036188 138.1
[M-H]- 143.039694 126.1
[M+NH4]+ 162.080793 146.4
[M+K]+ 183.010128 134.3
[M+H-H2O]+ 127.044230 120.6
[M+HCOO]- 189.045171 143.9
[M+CH3COO]- 203.060821 171.5
[M+Na-2H]- 165.021636 129.0
[M]+ 144.04642142 126.1
[M]- 144.04751858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe