CID 3038292

25366-57-8

Structural Information

Molecular Formula
C5H9N3S2
SMILES
CCC(C1=NC(=S)NN1)S
InChI
InChI=1S/C5H9N3S2/c1-2-3(9)4-6-5(10)8-7-4/h3,9H,2H2,1H3,(H2,6,7,8,10)
InChIKey
WRTDDOBYHLKUTR-UHFFFAOYSA-N
Compound name
5-(1-sulfanylpropyl)-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.02379 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03107 135.7
[M+Na]+ 198.01301 145.4
[M+NH4]+ 193.05761 143.1
[M+K]+ 213.98695 138.7
[M-H]- 174.01651 134.8
[M+Na-2H]- 195.99846 137.8
[M]+ 175.02324 137.5
[M]- 175.02434 137.5
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.