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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.