CID 1712448

Dithiouracil

Structural Information

Molecular Formula

C₄H₄N₂S₂

SMILES

C1=CNC(=S)NC1=S

InChI

InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

InChIKey

ZEQIWKHCJWRNTH-UHFFFAOYSA-N

Compound name

1H-pyrimidine-2,4-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 3293
Patents: 143.9816 Da
Monoisotopic Mass: 0.3
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]+	144.98888	124.1
[M+Na]+	166.97082	136.5
[M+NH4]+	162.01542	132.7
[M+K]+	182.94476	126.8
[M-H]-	142.97432	124.9
[M+Na-2H]-	164.95627	129.1
[M]+	143.98105	126.9
[M]-	143.98215	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe