CID 3037243

1,3,4-thiadiazole-2(3h)-thione, 5-(tert-dodecyldithio)-

Structural Information

Molecular Formula
C14H26N2S4
SMILES
CCCCCCCCCC(C)(C)SSC1=NNC(=S)S1
InChI
InChI=1S/C14H26N2S4/c1-4-5-6-7-8-9-10-11-14(2,3)20-19-13-16-15-12(17)18-13/h4-11H2,1-3H3,(H,15,17)
InChIKey
UGMGEYBGNHXQQO-UHFFFAOYSA-N
Compound name
5-(2-methylundecan-2-yldisulfanyl)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

350.09787 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10515 176.1
[M+Na]+ 373.08709 183.2
[M-H]- 349.09059 173.2
[M+NH4]+ 368.13169 188.4
[M+K]+ 389.06103 172.7
[M+H-H2O]+ 333.09513 169.8
[M+HCOO]- 395.09607 172.4
[M+CH3COO]- 409.11172 208.8
[M+Na-2H]- 371.07254 172.0
[M]+ 350.09732 176.8
[M]- 350.09842 176.8
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