In an article, author is CIMIRAGLIA, R, once mentioned the application of 552-63-6, SDS of cas: 552-63-6, Name is 3-Hydroxy-2-phenylpropanoic acid, molecular formula is C9H10O3, molecular weight is 166.1739, MDL number is MFCD00004255, category is isothiazole. Now introduce a scientific discovery about this category.
REVIVAL OF AN OLD STRUCTURE PROBLEM – TRITHIAPENTALENE – REAL OR TIME-AVERAGED C2V SYMMETRY
The structures of 1,6,6a-lambda-4-trithiapentalene la and the related compounds 1,6-dioxa-6a-lambda-4-thiapentalene lb and 1,6-diaza-6a-lambda-4-thiapentalene 1c were examined on the basis of ab initio MO theory employing the 3-21G(*) and 6-31G* basis sets. In case of the trithia and dioxathia molecules, the bridged C2-nu structures appear as most stable arrangements when the correlation energy is considered, whereas the corresponding open C(s) forms are preferred at the SCF level. The same conclusions can be drawn for the 1,6-disubstituted diazathiapentalenes. Contrary to this, structure 4 with an aromatic isothiazole ring is the most stable form for the unsubstituted compounds.
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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com