CID 3034153

5064-34-6

Structural Information

Molecular Formula
C8H10N4S6
SMILES
C(CCSC1=NNC(=S)S1)CSC2=NNC(=S)S2
InChI
InChI=1S/C8H10N4S6/c13-5-9-11-7(17-5)15-3-1-2-4-16-8-12-10-6(14)18-8/h1-4H2,(H,9,13)(H,10,14)
InChIKey
HZYLUFQBDSTRLP-UHFFFAOYSA-N
Compound name
5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

353.92297 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.93025 173.7
[M+Na]+ 376.91219 187.4
[M-H]- 352.91569 170.3
[M+NH4]+ 371.95679 183.8
[M+K]+ 392.88613 171.6
[M+H-H2O]+ 336.92023 170.9
[M+HCOO]- 398.92117 163.8
[M+CH3COO]- 412.93682 179.5
[M+Na-2H]- 374.89764 171.5
[M]+ 353.92242 165.6
[M]- 353.92352 165.6
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