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: 13
Patents: 167.9816 Da
Monoisotopic Mass: 1.3
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]+	168.98888	128.3
[M+Na]+	190.97082	141.9
[M+NH4]+	186.01542	138.3
[M+K]+	206.94476	132.9
[M-H]-	166.97432	130.3
[M+Na-2H]-	188.95627	134.2
[M]+	167.98105	131.8
[M]-	167.98215	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe