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

32
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 124.9
[M+Na]+ 181.98172 135.8
[M-H]- 157.98522 124.8
[M+NH4]+ 177.02632 143.1
[M+K]+ 197.95566 129.7
[M+H-H2O]+ 141.98976 119.2
[M+HCOO]- 203.99070 136.3
[M+CH3COO]- 218.00635 137.6
[M+Na-2H]- 179.96717 127.2
[M]+ 158.99195 123.2
[M]- 158.99305 123.2
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