4555-56-0 Purity
98%
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Specification
The molecular formula is C7H13NO5S.
The molecular weight is 223.25 g/mol.
It was created on December 10, 2007.
The IUPAC name is tert-butyl 2,2-dioxooxathiazolidine-3-carboxylate.
The InChI is InChI=1S/C7H13NO5S/c1-7(2,3)13-6(9)8-4-5-12-14(8,10)11/h4-5H2,1-3H3.
The InChIKey is ALJRPIAYJALVFG-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1CCOS1(=O)=O.
The CAS number is 459817-82-4.
It has 5 hydrogen bond acceptor counts.
Yes, it is a canonicalized compound.
Reference: [1] Tetrahedron Letters, 2013, vol. 54, # 26, p. 3453 - 3456
* For details of the synthesis route, please refer to the original source to ensure accuracy.