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

86
Patents

144.04697 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05425 127.0
[M+Na]+ 167.03619 138.1
[M-H]- 143.03969 126.1
[M+NH4]+ 162.08079 146.4
[M+K]+ 183.01013 134.3
[M+H-H2O]+ 127.04423 120.6
[M+HCOO]- 189.04517 143.9
[M+CH3COO]- 203.06082 171.5
[M+Na-2H]- 165.02164 129.0
[M]+ 144.04642 126.1
[M]- 144.04752 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