CID 3034173

2,4-dimercapto-5-methylpyrimidine

Structural Information

Molecular Formula
C5H6N2S2
SMILES
CC1=CNC(=S)NC1=S
InChI
InChI=1S/C5H6N2S2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKey
KQRLVMSUOWYRHL-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrimidine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

93
Patents

157.99724 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00452 124.8
[M+Na]+ 180.98646 135.9
[M-H]- 156.98996 123.8
[M+NH4]+ 176.03106 143.0
[M+K]+ 196.96040 128.9
[M+H-H2O]+ 140.99450 119.7
[M+HCOO]- 202.99544 134.3
[M+CH3COO]- 217.01109 137.3
[M+Na-2H]- 178.97191 126.5
[M]+ 157.99669 122.8
[M]- 157.99779 122.8
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

No patent data available for this compound.