CID 2724245

4-amino-2-mercaptopyrimidine

Structural Information

Molecular Formula
C4H5N3S
SMILES
C1=C(NC(=S)N=C1)N
InChI
InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKey
DCPSTSVLRXOYGS-UHFFFAOYSA-N
Compound name
6-amino-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

44506
Patents

127.02042 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02770 121.0
[M+Na]+ 150.00964 133.2
[M+NH4]+ 145.05424 129.4
[M+K]+ 165.98358 125.8
[M-H]- 126.01314 122.4
[M+Na-2H]- 147.99509 127.4
[M]+ 127.01987 123.4
[M]- 127.02097 123.4
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