CID 2723699

2-mercaptothiazoline

Structural Information

Molecular Formula
C3H5NS2
SMILES
C1CSC(=S)N1
InChI
InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChIKey
WGJCBBASTRWVJL-UHFFFAOYSA-N
Compound name
1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

80
References

8229
Patents

118.98634 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.99362 121.0
[M+Na]+ 141.97556 130.3
[M+NH4]+ 137.02016 130.8
[M+K]+ 157.94950 122.7
[M-H]- 117.97906 122.2
[M+Na-2H]- 139.96101 124.0
[M]+ 118.98579 123.4
[M]- 118.98689 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe