| CAS Number | 215791-95-0 |
| Catalog Number | AG00CG3B(AGN-PC-03I613) |
| Chemical Name | tert-Butyl thiomorpholine-4-carboxylate 1,1-dioxide |
| IUPAC Name | tert-butyl 1,1-dioxo-1,4-thiazinane-4-carboxylate |
| InChI | InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)10-4-6-15(12,13)7-5-10/h4-7H2,1-3H3 |
| InChI Key | UPIBPNFZLMUGQX-UHFFFAOYSA-N |
| MDL Number | MFCD21106368 |
| Molecular Formula | C9H17NO4S |
| Molecular Weight | 235.3006 |
| SMILES | O=C(OC(C)(C)C)N1CCS(=O)(=O)CC1 |
| Synonyms | N-BOC-1,1-dioxothiomorpholine,
215791-95-0,
SCHEMBL3392648,
UPIBPNFZLMUGQX-UHFFFAOYSA-N,
MFCD21106368,
ZINC82610527,
AKOS013101408,
tert-Butyl 1,1-dioxothiomorpholine-4-carboxylate,
tert-butyl 1,1-dioxo-thiomorpholine-4-carboxylate,
1,1-dioxidothiomorpholine-4-carboxylic acid tert-butyl ester,
tert-Butyl thiomorpholine-4-carboxylate,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.298g/mol |
| Monoisotopic Mass | 235.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number