Donovan, William H. published the artcileUsing theoretical descriptions in structure activity relationships: retention indexes of sulfur vesicants and related compounds, Name: 1,2-Bis(2-chloroethyl)disulfane, the publication is Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1996), 83-9, database is CAplus.
The authors have conducted a theor. linear solvation energy relation (TLSER) investigation of gas chromatog. (GC) retention indexes for a series of 37 organosulfur compounds on three different columns, deriving regression equations based on descriptors obtained using the MNDO, AM1 and PM3 Hamiltonians. In all cases, satisfactory regressions based on two or three descriptors results, with mol. volume being the most important descriptor. The results are qual. similar to those of Woloszyn and Jurs who, considering the same sulfur vesicant GC retention data set, applied an objective feature selection procedure to winnow descriptors from an initial set of 100, but were not able to treat any compounds containing sulfur-sulfur bonds. The approach was free of this restriction, allowing for consideration of all 37 compounds Only relatively small differences were obtained in the statistical quality of the regressions derived from the three Hamiltonians considered, and among the three GC columns.
Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Name: 1,2-Bis(2-chloroethyl)disulfane.
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