CID 3034501

4,6-pyrimidinedithiol, 2-amino-

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

31
Patents

158.9925 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.999776 124.9
[M+Na]+ 181.981718 135.8
[M-H]- 157.985224 124.8
[M+NH4]+ 177.026323 143.1
[M+K]+ 197.955658 129.7
[M+H-H2O]+ 141.989760 119.2
[M+HCOO]- 203.990701 136.3
[M+CH3COO]- 218.006351 137.6
[M+Na-2H]- 179.967166 127.2
[M]+ 158.99195142 123.2
[M]- 158.99304858 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