CID 54594263

1955564-25-6

Structural Information

Molecular Formula
C5H5N5S
SMILES
C1=C(NN=C1)C2=NC(=S)NN2
InChI
InChI=1S/C5H5N5S/c11-5-7-4(9-10-5)3-1-2-6-8-3/h1-2H,(H,6,8)(H2,7,9,10,11)
InChIKey
CUWURAFRGZTODK-UHFFFAOYSA-N
Compound name
5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.02657 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.033846 131.0
[M+Na]+ 190.015788 143.7
[M-H]- 166.019294 129.4
[M+NH4]+ 185.060393 147.4
[M+K]+ 205.989728 138.0
[M+H-H2O]+ 150.023830 123.8
[M+HCOO]- 212.024771 145.8
[M+CH3COO]- 226.040421 143.5
[M+Na-2H]- 188.001236 133.0
[M]+ 167.02602142 129.3
[M]- 167.02711858 129.3
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

No patent data available for this compound.