CID 2732684

28819-37-6

Structural Information

Molecular Formula
C7H5N3S2
SMILES
C1=CC=NC(=C1)C2=NNC(=S)S2
InChI
InChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-3-1-2-4-8-5/h1-4H,(H,10,11)
InChIKey
NURSZUJTABWSTA-UHFFFAOYSA-N
Compound name
5-pyridin-2-yl-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

194.9925 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99978 134.5
[M+Na]+ 217.98172 146.7
[M-H]- 193.98522 137.1
[M+NH4]+ 213.02632 152.4
[M+K]+ 233.95566 140.6
[M+H-H2O]+ 177.98976 128.2
[M+HCOO]- 239.99070 146.6
[M+CH3COO]- 254.00635 147.5
[M+Na-2H]- 215.96717 136.3
[M]+ 194.99195 134.8
[M]- 194.99305 134.8
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