CID 727654

307512-33-0

Structural Information

Molecular Formula
C8H8N2S2
SMILES
CC1=C(SC2=C1C(=S)NC=N2)C
InChI
InChI=1S/C8H8N2S2/c1-4-5(2)12-8-6(4)7(11)9-3-10-8/h3H,1-2H3,(H,9,10,11)
InChIKey
BPXRXYWYEMPYQU-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3H-thieno[2,3-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

196.0129 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02018 134.5
[M+Na]+ 219.00212 148.5
[M-H]- 195.00562 136.7
[M+NH4]+ 214.04672 155.5
[M+K]+ 234.97606 142.3
[M+H-H2O]+ 179.01016 129.9
[M+HCOO]- 241.01110 147.0
[M+CH3COO]- 255.02675 148.6
[M+Na-2H]- 216.98757 136.5
[M]+ 196.01235 138.3
[M]- 196.01345 138.3
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

No patent data available for this compound.