CID 3032892

Carbamic acid, hexamethylenebis(dithio-, diethyl ester

Structural Information

Molecular Formula
C12H24N2S4
SMILES
CCSC(=S)NCCCCCCNC(=S)SCC
InChI
InChI=1S/C12H24N2S4/c1-3-17-11(15)13-9-7-5-6-8-10-14-12(16)18-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKey
MHDAHBGKTQPOJS-UHFFFAOYSA-N
Compound name
ethyl N-[6-(ethylsulfanylcarbothioylamino)hexyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08224 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08952 166.0
[M+Na]+ 347.07146 169.6
[M+NH4]+ 342.11606 172.7
[M+K]+ 363.04540 158.3
[M-H]- 323.07496 166.3
[M+Na-2H]- 345.05691 164.8
[M]+ 324.08169 167.9
[M]- 324.08279 167.9
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

No patent data available for this compound.