CID 25142950

Schembl2245846

Structural Information

Molecular Formula
C8H8N2S2
SMILES
CC1=CC=C(S1)C2=CNC(=S)N2
InChI
InChI=1S/C8H8N2S2/c1-5-2-3-7(12-5)6-4-9-8(11)10-6/h2-4H,1H3,(H2,9,10,11)
InChIKey
VLDBRCXNFRGTRR-UHFFFAOYSA-N
Compound name
4-(5-methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.0129 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.020176 137.3
[M+Na]+ 219.002118 150.6
[M-H]- 195.005624 140.9
[M+NH4]+ 214.046723 158.1
[M+K]+ 234.976058 144.2
[M+H-H2O]+ 179.010160 132.5
[M+HCOO]- 241.011101 151.1
[M+CH3COO]- 255.026751 151.1
[M+Na-2H]- 216.987566 136.0
[M]+ 196.01235142 138.7
[M]- 196.01344858 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe