CID 3546562

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

Structural Information

Molecular Formula
C4H7N3S
SMILES
CCN1C=NNC1=S
InChI
InChI=1S/C4H7N3S/c1-2-7-3-5-6-4(7)8/h3H,2H2,1H3,(H,6,8)
InChIKey
VYCYFQLHLFRVKW-UHFFFAOYSA-N
Compound name
4-ethyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

129.03607 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04335 125.2
[M+Na]+ 152.02529 136.8
[M+NH4]+ 147.06989 133.1
[M+K]+ 167.99923 131.0
[M-H]- 128.02879 124.8
[M+Na-2H]- 150.01074 129.7
[M]+ 129.03552 127.0
[M]- 129.03662 127.0
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