CID 718633

5-phenylthieno[2,3-d]pyrimidine-4-thiol

Structural Information

Molecular Formula
C12H8N2S2
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=S)NC=N3
InChI
InChI=1S/C12H8N2S2/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)
InChIKey
LNOFOMVIGAWPSJ-UHFFFAOYSA-N
Compound name
5-phenyl-3H-thieno[2,3-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

244.0129 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02018 147.0
[M+Na]+ 267.00212 160.5
[M-H]- 243.00562 152.1
[M+NH4]+ 262.04672 165.6
[M+K]+ 282.97606 152.6
[M+H-H2O]+ 227.01016 141.4
[M+HCOO]- 289.01110 160.3
[M+CH3COO]- 303.02675 160.3
[M+Na-2H]- 264.98757 150.5
[M]+ 244.01235 149.6
[M]- 244.01345 149.6
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

No patent data available for this compound.