CID 3034691

4-ethylthiazolidine-2-thione

Structural Information

Molecular Formula
C5H9NS2
SMILES
CCC1CSC(=S)N1
InChI
InChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
UBKTWHKJHPIXFH-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

147.01764 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.024916 127.5
[M+Na]+ 170.006858 136.1
[M-H]- 146.010364 128.5
[M+NH4]+ 165.051463 149.6
[M+K]+ 185.980798 132.3
[M+H-H2O]+ 130.014900 122.8
[M+HCOO]- 192.015841 137.6
[M+CH3COO]- 206.031491 169.5
[M+Na-2H]- 167.992306 126.1
[M]+ 147.01709142 125.5
[M]- 147.01818858 125.5
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