| CAS Number | 1820581-42-7 |
| Catalog Number | AG00I0EV(AGN-PC-0WR6X2) |
| Chemical Name | 3-tert-butyl 4-methyl (4S)-1,3-thiazolidine-3,4-dicarboxylate |
| IUPAC Name | 3-O-tert-butyl 4-O-methyl (4S)-1,3-thiazolidine-3,4-dicarboxylate |
| InChI | InChI=1S/C10H17NO4S/c1-10(2,3)15-9(13)11-6-16-5-7(11)8(12)14-4/h7H,5-6H2,1-4H3/t7-/m1/s1 |
| InChI Key | LKAZETDWVWEZSD-SSDOTTSWSA-N |
| MDL Number | MFCD27578216 |
| Molecular Formula | C10H17NO4S |
| Molecular Weight | 247.3113 |
| SMILES | COC([C@@H]1N(C(OC(C)(C)C)=O)CSC1)=O |
| Synonyms | 1820581-42-7,
(s)-3-tert-butyl 4-methyl thiazolidine-3,4-dicarboxylate,
SCHEMBL200923,
ZINC97756720,
3-TERT-BUTYL 4-METHYL (4S)-1,3-THIAZOLIDINE-3,4-DICARBOXYLATE,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.309g/mol |
| Monoisotopic Mass | 247.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number