CID 44148986

97503-12-3

Structural Information

Molecular Formula
C11H20N2S4
SMILES
CCCCCCC(C)(C)SSC1=NNC(=S)S1
InChI
InChI=1S/C11H20N2S4/c1-4-5-6-7-8-11(2,3)17-16-10-13-12-9(14)15-10/h4-8H2,1-3H3,(H,12,14)
InChIKey
LFJYCZUCHIBVSG-UHFFFAOYSA-N
Compound name
5-(2-methyloctan-2-yldisulfanyl)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

173
Patents

308.05093 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05821 165.8
[M+Na]+ 331.04015 174.1
[M-H]- 307.04365 163.4
[M+NH4]+ 326.08475 179.7
[M+K]+ 347.01409 164.3
[M+H-H2O]+ 291.04819 160.0
[M+HCOO]- 353.04913 162.8
[M+CH3COO]- 367.06478 200.8
[M+Na-2H]- 329.02560 162.6
[M]+ 308.05038 165.5
[M]- 308.05148 165.5
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