CID 3000748

3,5-dimercapto-1,2,4-triazole

Structural Information

Molecular Formula
C2H3N3S2
SMILES
C1(=S)NC(=S)NN1
InChI
InChI=1S/C2H3N3S2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)
InChIKey
WYENVTYBQKCILL-UHFFFAOYSA-N
Compound name
1,2,4-triazolidine-3,5-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

782
Patents

132.97684 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.98412 120.2
[M+Na]+ 155.96606 131.9
[M-H]- 131.96956 116.9
[M+NH4]+ 151.01066 139.1
[M+K]+ 171.94000 125.4
[M+H-H2O]+ 115.97410 115.3
[M+HCOO]- 177.97504 129.0
[M+CH3COO]- 191.99069 132.6
[M+Na-2H]- 153.95151 120.6
[M]+ 132.97629 116.5
[M]- 132.97739 116.5
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