CID 6452217

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

Structural Information

Molecular Formula
C14H26N2S4
SMILES
CCCCCCCCCCCCSSC1=NNC(=S)S1
InChI
InChI=1S/C14H26N2S4/c1-2-3-4-5-6-7-8-9-10-11-12-18-20-14-16-15-13(17)19-14/h2-12H2,1H3,(H,15,17)
InChIKey
JGKULQMKNNNNKK-UHFFFAOYSA-N
Compound name
5-(dodecyldisulfanyl)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

350.09787 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10515 170.9
[M+Na]+ 373.08709 177.9
[M-H]- 349.09059 167.9
[M+NH4]+ 368.13169 183.3
[M+K]+ 389.06103 167.1
[M+H-H2O]+ 333.09513 164.5
[M+HCOO]- 395.09607 168.5
[M+CH3COO]- 409.11172 208.5
[M+Na-2H]- 371.07254 166.2
[M]+ 350.09732 172.2
[M]- 350.09842 172.2
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