N-Formylsaccharin - CAS 50978-45-5
Catalog: |
BB064580 |
Product Name: |
N-Formylsaccharin |
CAS: |
50978-45-5 |
Synonyms: |
2-Formyl-1,2-benzisothiazoline-3-one 1,1-Dioxide; 3-Oxo-1,2-benzisothiazole-2(3H)-carboxaldehyde, 1,1-Dioxide |
IUPAC Name: | 1,1,3-trioxo-1,2-benzothiazole-2-carbaldehyde |
Description: | N-Formylsaccharin is an reagent that was shown to be efficient at chemoselective N-formylation of both primary and secondary amines. |
Molecular Weight: | 211.19 |
Molecular Formula: | C8H5NO4S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C=O |
InChI: | InChI=1S/C8H5NO4S/c10-5-9-8(11)6-3-1-2-4-7(6)14(9,12)13/h1-5H |
InChI Key: | LMPIFZSJKLLOLM-UHFFFAOYSA-N |
Solubility: | DCM |
Appearance: | White Solid |
References: | Cochet, T., et la. Synlett., 13, 1920 (2011). |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.99392881 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.99392881 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 79.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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