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]+ 162.015406 128.0
[M+Na]+ 183.997348 138.7
[M-H]- 160.000854 125.9
[M+NH4]+ 179.041953 146.5
[M+K]+ 199.971288 133.8
[M+H-H2O]+ 144.005390 122.6
[M+HCOO]- 206.006331 136.5
[M+CH3COO]- 220.021981 140.2
[M+Na-2H]- 181.982796 127.2
[M]+ 161.00758142 127.0
[M]- 161.00867858 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.