CID 4446554

5-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol

Structural Information

Molecular Formula
C4H2N4S5
SMILES
C1(=S)NN=C(S1)SC2=NNC(=S)S2
InChI
InChI=1S/C4H2N4S5/c9-1-5-7-3(11-1)13-4-8-6-2(10)12-4/h(H,5,9)(H,6,10)
InChIKey
HOJIICWYDFQRKH-UHFFFAOYSA-N
Compound name
5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

265.8883 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.89558 148.0
[M+Na]+ 288.87752 157.5
[M+NH4]+ 283.92212 155.4
[M+K]+ 304.85146 147.9
[M-H]- 264.88102 149.4
[M+Na-2H]- 286.86297 148.6
[M]+ 265.88775 151.5
[M]- 265.88885 151.5
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