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
4
Annotation Hits

35
References

16987
Patents

101.00477 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.012046 114.8
[M+Na]+ 123.993988 125.5
[M-H]- 99.997494 112.6
[M+NH4]+ 119.038593 135.2
[M+K]+ 139.967928 122.1
[M+H-H2O]+ 84.002030 108.8
[M+HCOO]- 146.002971 130.5
[M+CH3COO]- 160.018621 128.4
[M+Na-2H]- 121.979436 119.1
[M]+ 101.00422142 112.3
[M]- 101.00531858 112.3
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