CID 2240043

Thieno[2,3-d]pyrimidine-4-thiol

Structural Information

Molecular Formula
C6H4N2S2
SMILES
C1=CSC2=C1C(=S)NC=N2
InChI
InChI=1S/C6H4N2S2/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9)
InChIKey
CJRCQIKVDNTHCO-UHFFFAOYSA-N
Compound name
3H-thieno[2,3-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

167.9816 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.988876 125.9
[M+Na]+ 190.970818 139.4
[M-H]- 166.974324 127.9
[M+NH4]+ 186.015423 147.6
[M+K]+ 206.944758 133.8
[M+H-H2O]+ 150.978860 121.3
[M+HCOO]- 212.979801 139.4
[M+CH3COO]- 226.995451 140.3
[M+Na-2H]- 188.956266 130.3
[M]+ 167.98105142 128.4
[M]- 167.98214858 128.4
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