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]+ 147.999776 123.5
[M+Na]+ 169.981718 135.0
[M-H]- 145.985224 121.5
[M+NH4]+ 165.026323 142.7
[M+K]+ 185.955658 129.9
[M+H-H2O]+ 129.989760 118.2
[M+HCOO]- 191.990701 133.4
[M+CH3COO]- 206.006351 136.2
[M+Na-2H]- 167.967166 124.0
[M]+ 146.99195142 122.7
[M]- 146.99304858 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.