CID 3062525

98273-53-1

Structural Information

Molecular Formula
C7H5N3S2
SMILES
C1=CSC(=C1)C2=NC(=S)NN=C2
InChI
InChI=1S/C7H5N3S2/c11-7-9-5(4-8-10-7)6-2-1-3-12-6/h1-4H,(H,9,10,11)
InChIKey
GMEFBTFURKGPRD-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

194.9925 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99978 134.5
[M+Na]+ 217.98172 146.7
[M-H]- 193.98522 137.1
[M+NH4]+ 213.02632 152.4
[M+K]+ 233.95566 140.6
[M+H-H2O]+ 177.98976 128.2
[M+HCOO]- 239.99070 146.6
[M+CH3COO]- 254.00635 147.5
[M+Na-2H]- 215.96717 136.3
[M]+ 194.99195 134.8
[M]- 194.99305 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe