CID 3034501

2-amino-4,6-dimercaptopyrimidine

Structural Information

Molecular Formula
C4H5N3S2
SMILES
C1=C(N=C(NC1=S)N)S
InChI
InChI=1S/C4H5N3S2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
InChIKey
JELYRSQDECKEOG-UHFFFAOYSA-N
Compound name
2-amino-4-sulfanyl-1H-pyrimidine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

158.9925 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99978 127.4
[M+Na]+ 181.98172 139.1
[M+NH4]+ 177.02632 135.9
[M+K]+ 197.95566 130.1
[M-H]- 157.98522 129.0
[M+Na-2H]- 179.96717 132.3
[M]+ 158.99195 130.3
[M]- 158.99305 130.3
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