CID 4436654

72676-55-2

Structural Information

Molecular Formula
C4H2N4S6
SMILES
C1(=S)NN=C(S1)SSC2=NNC(=S)S2
InChI
InChI=1S/C4H2N4S6/c9-1-5-7-3(11-1)13-14-4-8-6-2(10)12-4/h(H,5,9)(H,6,10)
InChIKey
DJCISYVIXPWVHY-UHFFFAOYSA-N
Compound name
5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

146
Patents

297.86038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.86766 152.9
[M+Na]+ 320.84960 161.2
[M+NH4]+ 315.89420 159.8
[M+K]+ 336.82354 151.0
[M-H]- 296.85310 154.4
[M+Na-2H]- 318.83505 152.1
[M]+ 297.85983 156.4
[M]- 297.86093 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe