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
3
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 227.6
[M+Na]+ 470.92842 229.0
[M-H]- 446.93192 218.4
[M+NH4]+ 465.97302 229.2
[M+K]+ 486.90236 209.1
[M+H-H2O]+ 430.93646 220.7
[M+HCOO]- 492.93740 200.6
[M+CH3COO]- 506.95305 222.6
[M+Na-2H]- 468.91387 227.6
[M]+ 447.93865 201.6
[M]- 447.93975 201.6
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