| CAS Number | 1850380-77-6 |
| Catalog Number | AG01DH9Q |
| Chemical Name | (S)-S-Isopropyl 2-((tert-butoxycarbonyl)amino)propanethioate |
| IUPAC Name | S-propan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate |
| InChI | InChI=1S/C11H21NO3S/c1-7(2)16-9(13)8(3)12-10(14)15-11(4,5)6/h7-8H,1-6H3,(H,12,14)/t8-/m0/s1 |
| InChI Key | CTWRMZPOOHRGFV-QMMMGPOBSA-N |
| MDL Number | MFCD29477720 |
| Molecular Formula | C11H21NO3S |
| Molecular Weight | 247.3543 |
| SMILES | CC(C)SC(=O)[C@H](C)NC(=O)OC(C)(C)C |
| Synonyms | (S)-S-Isopropyl 2-((tert-butoxycarbonyl)amino)propanethioate,
1850380-77-6,
ACN-054356,
S-isopropyl (S)-2-((tert-butoxycarbonyl)amino)propanethioate,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.353g/mol |
| Monoisotopic Mass | 247.124g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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