CID 4453076

Mls000737072

Structural Information

Molecular Formula

C₆H₈N₂S₂

SMILES

CC1=CC(=S)N=C(N1)SC

InChI

InChI=1S/C6H8N2S2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)

InChIKey

PWIVSHYPWDPRDY-UHFFFAOYSA-N

Compound name

6-methyl-2-methylsulfanyl-1H-pyrimidine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 172.0129 Da
Monoisotopic Mass: 1.2
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]+	173.02018	133.1
[M+Na]+	195.00212	146.0
[M+NH4]+	190.04672	142.0
[M+K]+	210.97606	135.8
[M-H]-	171.00562	134.7
[M+Na-2H]-	192.98757	138.1
[M]+	172.01235	136.3
[M]-	172.01345	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe