CID 4446554

7340-97-8

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

49
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 150.0
[M+Na]+ 288.87752 165.8
[M-H]- 264.88102 148.9
[M+NH4]+ 283.92212 164.2
[M+K]+ 304.85146 153.3
[M+H-H2O]+ 248.88556 147.3
[M+HCOO]- 310.88650 146.1
[M+CH3COO]- 324.90215 159.5
[M+Na-2H]- 286.86297 147.9
[M]+ 265.88775 145.0
[M]- 265.88885 145.0
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