CID 70414

Dipentamethylenethiuram hexasulfide

Structural Information

Molecular Formula
C12H20N2S8
SMILES
C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2
InChI
InChI=1S/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2
InChIKey
HPFHYRNETZEPIV-UHFFFAOYSA-N
Compound name
(piperidine-1-carbothioylpentasulfanyl) piperidine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

447.9392 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.94648 159.0
[M+Na]+ 470.92842 162.1
[M+NH4]+ 465.97302 165.3
[M+K]+ 486.90236 151.3
[M-H]- 446.93192 161.1
[M+Na-2H]- 468.91387 157.9
[M]+ 447.93865 162.1
[M]- 447.93975 162.1
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