In recent years the study of Au(111) surfaces modified by various self assembling organic molecules has grown at a tremendous rate. The attractiveness of self assembly lies in its practicality - standard chemistry lab equipment can be used in the creation of functional devices, such as a biosensor. The functionality of these devices is dependant on the success of the molecular adsorbate(s) to create a monolayer of sufficient surface coverage with an optimal molecular conformation which enables the desired surface properties to be achieved. In the case of a surface modified in such a way as to provide a nanoscale ionic reservoir, it important that the functional groups that interact with water are presented in such a conformation that water molecules can easily interact with them. Many studies have been conducted on alkanethiols and modified alkanethiols and disulfides where the assembling molecule is structurally a straight chain terminated by a sulfur atom. The case of a straight chain presents only a small number of variables in consideration of the molecular lattice structure formed on the Au(111) surface, due to its rod like shape. As a precursor to this, we have studied the self assembly of an asymmetrical molecule in order to examine the range of packing structures that might eventuate in a situation where there is a more complicated molecular geometry. The structure we have examined contains a benzene ring connected to an ethylene glycol chain via an S2 bridge. We will present the result of Quantum Mechanical calculations of the interaction of the benzyl-disulfide with the gold surface, and also simulate using Molecular Dynamics the dynamic behavior of small numbers (n < 5) of the molecules in free space.