| CAS Number | 278788-74-2 |
| Catalog Number | AG019EKI(AGN-PC-044KBJ) |
| Chemical Name | tert-Butyl thiomorpholine-4-carboxylate 1-oxide |
| IUPAC Name | tert-butyl 1-oxo-1,4-thiazinane-4-carboxylate |
| InChI | InChI=1S/C9H17NO3S/c1-9(2,3)13-8(11)10-4-6-14(12)7-5-10/h4-7H2,1-3H3 |
| InChI Key | WCSAOXAANHXOPS-UHFFFAOYSA-N |
| MDL Number | MFCD21140584 |
| Molecular Formula | C9H17NO3S |
| Molecular Weight | 219.3012 |
| SMILES | O=C(N1CCS(CC1)=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL THIOMORPHOLINE-4-CARBOXYLATE 1-OXIDE,
1601148-85-9,
278788-74-2,
4-Thiomorpholinecarboxylic acid, 1,1-dimethylethyl ester, 1-oxide,
SCHEMBL4734743,
CTK0I5445,
DTXSID80634726,
WCSAOXAANHXOPS-UHFFFAOYSA-N,
MFCD21140584,
ZINC83502372,
AKOS014476126,
CS-0062514,
t-Butyl thiomorpholine-4-carboxylate 1-oxide,
Tert-butyl thiomorpholine-4-carboxylate1-oxide,
tert-butyl 1-oxo-1lambda-thiomorpholine-4-carboxylate,
tert-Butyl 1-oxo-1lambda~4~,4-thiazinane-4-carboxylate,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.299g/mol |
| Monoisotopic Mass | 219.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number