CID 1201482

4,6-diamino-2-mercaptopyrimidine

Structural Information

Molecular Formula
C4H6N4S
SMILES
C1=C(NC(=S)N=C1N)N
InChI
InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)
InChIKey
QCAWOHUJKPKOMD-UHFFFAOYSA-N
Compound name
4,6-diamino-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

2252
Patents

142.03131 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03859 124.4
[M+Na]+ 165.02053 135.3
[M+NH4]+ 160.06513 132.1
[M+K]+ 180.99447 128.9
[M-H]- 141.02403 125.9
[M+Na-2H]- 163.00598 129.8
[M]+ 142.03076 126.5
[M]- 142.03186 126.5
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