| CAS Number | 1311368-91-8 |
| Catalog Number | AG01ANE4 |
| Chemical Name | tert-butyl 6-methyl-2,2-dioxo-1,2lambda6,3-oxathiazinane-3-carboxylate |
| IUPAC Name | tert-butyl 6-methyl-2,2-dioxooxathiazinane-3-carboxylate |
| InChI | InChI=1S/C9H17NO5S/c1-7-5-6-10(16(12,13)15-7)8(11)14-9(2,3)4/h7H,5-6H2,1-4H3 |
| InChI Key | CIFMHARJEMLUFC-UHFFFAOYSA-N |
| MDL Number | MFCD24467677 |
| Molecular Formula | C9H17NO5S |
| Molecular Weight | 251.3 |
| SMILES | CC1OS(=O)(=O)N(C(OC(C)(C)C)=O)CC1 |
| Synonyms | tert-butyl 6-methyl-2,2-dioxo-1,2lambda6,3-oxathiazinane-3-carboxylate,
1311368-91-8,
SCHEMBL1978328,
CIFMHARJEMLUFC-UHFFFAOYSA-N,
tert-butyl 6-methyl-1,2,3-oxathiazinane-3-carboxylate 2,2-dioxide,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.297g/mol |
| Monoisotopic Mass | 251.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number