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

6
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

literature stripe

Patent stripe

patents stripe