| CAS Number | 1383453-52-8 |
| Catalog Number | AG009B93(AGN-PC-0WQXYP) |
| Chemical Name | 4-tert-Butyl 2-methyl thiomorpholine-2,4-dicarboxylate |
| IUPAC Name | 4-O-tert-butyl 2-O-methyl thiomorpholine-2,4-dicarboxylate |
| InChI | InChI=1S/C11H19NO4S/c1-11(2,3)16-10(14)12-5-6-17-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3 |
| InChI Key | CYWMUIXUMIVRHP-UHFFFAOYSA-N |
| MDL Number | MFCD23162727 |
| Molecular Formula | C11H19NO4S |
| Molecular Weight | 261.3379 |
| SMILES | COC(=O)C1SCCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1383453-52-8,
4-tert-Butyl 2-methyl thiomorpholine-2,4-dicarboxylate,
SCHEMBL9979972,
Thiomorpholine-2,4-dicarboxylic acid 4-tert-butyl ester,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.336g/mol |
| Monoisotopic Mass | 261.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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