CID 25142954

Schembl2245955

Structural Information

Molecular Formula

C₈H₈N₂S₂

SMILES

CC1=CSC(=C1)C2=CNC(=S)N2

InChI

InChI=1S/C8H8N2S2/c1-5-2-7(12-4-5)6-3-9-8(11)10-6/h2-4H,1H3,(H2,9,10,11)

InChIKey

KEJRMOMLDKMMDC-UHFFFAOYSA-N

Compound name

4-(4-methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 196.0129 Da
Monoisotopic Mass: 1.5
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]+	197.02018	139.5
[M+Na]+	219.00212	151.6
[M+NH4]+	214.04672	148.4
[M+K]+	234.97606	144.9
[M-H]-	195.00562	141.8
[M+Na-2H]-	216.98757	144.7
[M]+	196.01235	142.7
[M]-	196.01345	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe