CID 3885730

40769-89-9

Structural Information

Molecular Formula

C₅H₃N₃S₂

SMILES

C1=NC2=C(C(=S)N1)N=CS2

InChI

InChI=1S/C5H3N3S2/c9-4-3-5(7-1-6-4)10-2-8-3/h1-2H,(H,6,7,9)

InChIKey

LKMUGGHJDVQIQC-UHFFFAOYSA-N

Compound name

6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 168.97684 Da
Monoisotopic Mass: 1.0
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]+	169.98412	128.4
[M+Na]+	191.96606	142.1
[M+NH4]+	187.01066	137.8
[M+K]+	207.94000	133.5
[M-H]-	167.96956	129.7
[M+Na-2H]-	189.95151	134.1
[M]+	168.97629	131.7
[M]-	168.97739	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe