CID 3038291

25366-56-7

Structural Information

Molecular Formula
C4H7N3S2
SMILES
CC(C1=NC(=S)NN1)S
InChI
InChI=1S/C4H7N3S2/c1-2(8)3-5-4(9)7-6-3/h2,8H,1H3,(H2,5,6,7,9)
InChIKey
KURVESZWJPJSFK-UHFFFAOYSA-N
Compound name
5-(1-sulfanylethyl)-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.00813 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01541 128.0
[M+Na]+ 183.99735 138.7
[M-H]- 160.00085 125.9
[M+NH4]+ 179.04195 146.5
[M+K]+ 199.97129 133.8
[M+H-H2O]+ 144.00539 122.6
[M+HCOO]- 206.00633 136.5
[M+CH3COO]- 220.02198 140.2
[M+Na-2H]- 181.98280 127.2
[M]+ 161.00758 127.0
[M]- 161.00868 127.0
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.