CID 7064094

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

Structural Information

Molecular Formula
C6H5N3S2
SMILES
C1=CSC2=NC(=S)NC(=C21)N
InChI
InChI=1S/C6H5N3S2/c7-4-3-1-2-11-5(3)9-6(10)8-4/h1-2H,(H3,7,8,9,10)
InChIKey
HEDDJCBSSBXDKX-UHFFFAOYSA-N
Compound name
4-amino-3H-thieno[2,3-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

182.9925 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99978 129.6
[M+Na]+ 205.98172 142.8
[M-H]- 181.98522 131.1
[M+NH4]+ 201.02632 150.2
[M+K]+ 221.95566 136.4
[M+H-H2O]+ 165.98976 124.7
[M+HCOO]- 227.99070 143.1
[M+CH3COO]- 242.00635 143.3
[M+Na-2H]- 203.96717 133.2
[M]+ 182.99195 130.6
[M]- 182.99305 130.6
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