CID 469983

2-thiazolidinethione, 3,3'-(1,2-ethanediyl)bis[4-ethyl-

Structural Information

Molecular Formula
C12H20N2S4
SMILES
CCC1CSC(=S)N1CCN2C(CSC2=S)CC
InChI
InChI=1S/C12H20N2S4/c1-3-9-7-17-11(15)13(9)5-6-14-10(4-2)8-18-12(14)16/h9-10H,3-8H2,1-2H3
InChIKey
MPVLRWXRJQTGTJ-UHFFFAOYSA-N
Compound name
4-ethyl-3-[2-(4-ethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.05093 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05821 169.9
[M+Na]+ 343.04015 179.1
[M-H]- 319.04365 172.1
[M+NH4]+ 338.08475 186.3
[M+K]+ 359.01409 171.0
[M+H-H2O]+ 303.04819 165.7
[M+HCOO]- 365.04913 167.2
[M+CH3COO]- 379.06478 178.5
[M+Na-2H]- 341.02560 161.7
[M]+ 320.05038 167.7
[M]- 320.05148 167.7
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

No patent data available for this compound.