CID 3038277

23969-17-7

Structural Information

Molecular Formula
C3H5N3S2
SMILES
C(C1=NC(=S)NN1)S
InChI
InChI=1S/C3H5N3S2/c7-1-2-4-3(8)6-5-2/h7H,1H2,(H2,4,5,6,8)
InChIKey
JUUBTDHWUWSKBQ-UHFFFAOYSA-N
Compound name
5-(sulfanylmethyl)-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.9925 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.99978 123.5
[M+Na]+ 169.98172 135.0
[M-H]- 145.98522 121.5
[M+NH4]+ 165.02632 142.7
[M+K]+ 185.95566 129.9
[M+H-H2O]+ 129.98976 118.2
[M+HCOO]- 191.99070 133.4
[M+CH3COO]- 206.00635 136.2
[M+Na-2H]- 167.96717 124.0
[M]+ 146.99195 122.7
[M]- 146.99305 122.7
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.