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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.99978	131.6
[M+Na]+	205.98172	144.0
[M+NH4]+	201.02632	140.9
[M+K]+	221.95566	135.9
[M-H]-	181.98522	133.7
[M+Na-2H]-	203.96717	136.7
[M]+	182.99195	134.8
[M]-	182.99305	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe