CID 2723802

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

Structural Information

Molecular Formula
C2H3N3S
SMILES
C1=NC(=S)NN1
InChI
InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
InChIKey
AFBBKYQYNPNMAT-UHFFFAOYSA-N
Compound name
1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

12762
Patents

101.00477 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.01205 116.3
[M+Na]+ 123.99399 127.3
[M+NH4]+ 119.03859 124.1
[M+K]+ 139.96793 122.2
[M-H]- 99.997494 115.4
[M+Na-2H]- 121.97944 121.0
[M]+ 101.00422 117.8
[M]- 101.00532 117.8
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