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

31
Patents

147.01764 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.02492 127.5
[M+Na]+ 170.00686 136.1
[M-H]- 146.01036 128.5
[M+NH4]+ 165.05146 149.6
[M+K]+ 185.98080 132.3
[M+H-H2O]+ 130.01490 122.8
[M+HCOO]- 192.01584 137.6
[M+CH3COO]- 206.03149 169.5
[M+Na-2H]- 167.99231 126.1
[M]+ 147.01709 125.5
[M]- 147.01819 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