CID 3034173

2,4-dimercapto-5-methylpyrimidine

Structural Information

Molecular Formula

C₅H₆N₂S₂

SMILES

CC1=CNC(=S)NC1=S

InChI

InChI=1S/C5H6N2S2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChIKey

KQRLVMSUOWYRHL-UHFFFAOYSA-N

Compound name

5-methyl-1H-pyrimidine-2,4-dithione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 93
Patents: 157.99724 Da
Monoisotopic Mass: 0.6
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]+	159.004516	124.8
[M+Na]+	180.986458	135.9
[M-H]-	156.989964	123.8
[M+NH4]+	176.031063	143.0
[M+K]+	196.960398	128.9
[M+H-H2O]+	140.994500	119.7
[M+HCOO]-	202.995441	134.3
[M+CH3COO]-	217.011091	137.3
[M+Na-2H]-	178.971906	126.5
[M]+	157.99669142	122.8
[M]-	157.99778858	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe