CID 3022082

2h-imidazole-2-thione, 1,3-dihydro-4-(2-thienyl)-

Structural Information

Molecular Formula
C7H6N2S2
SMILES
C1=CSC(=C1)C2=CNC(=S)N2
InChI
InChI=1S/C7H6N2S2/c10-7-8-4-5(9-7)6-2-1-3-11-6/h1-4H,(H2,8,9,10)
InChIKey
MCHJAOYKRCMJQI-UHFFFAOYSA-N
Compound name
4-thiophen-2-yl-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.99724 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00452 133.1
[M+Na]+ 204.98646 146.1
[M-H]- 180.98996 136.6
[M+NH4]+ 200.03106 154.3
[M+K]+ 220.96040 140.1
[M+H-H2O]+ 164.99450 128.3
[M+HCOO]- 226.99544 147.3
[M+CH3COO]- 241.01109 147.1
[M+Na-2H]- 202.97191 133.0
[M]+ 181.99669 133.8
[M]- 181.99779 133.8
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

No patent data available for this compound.