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 132.1
[M+Na]+ 198.01301 142.3
[M-H]- 174.01651 129.8
[M+NH4]+ 193.05761 150.1
[M+K]+ 213.98695 137.2
[M+H-H2O]+ 158.02105 126.5
[M+HCOO]- 220.02199 140.3
[M+CH3COO]- 234.03764 172.6
[M+Na-2H]- 195.99846 130.8
[M]+ 175.02324 131.4
[M]- 175.02434 131.4
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.