CID 12853683

3,5-bis(methylthio)-1,2,4-triazin-6-amine

Structural Information

Molecular Formula
C5H8N4S2
SMILES
CSC1=C(N=NC(=N1)SC)N
InChI
InChI=1S/C5H8N4S2/c1-10-4-3(6)8-9-5(7-4)11-2/h1-2H3,(H2,6,8)
InChIKey
IBOKEQFMMUALBP-UHFFFAOYSA-N
Compound name
3,5-bis(methylsulfanyl)-1,2,4-triazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

188.01904 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02632 135.8
[M+Na]+ 211.00826 147.7
[M+NH4]+ 206.05286 144.0
[M+K]+ 226.98220 138.5
[M-H]- 187.01176 137.4
[M+Na-2H]- 208.99371 140.7
[M]+ 188.01849 138.8
[M]- 188.01959 138.8
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

patents stripe