| CAS Number | 114326-10-2 |
| Catalog Number | AG000B3Q(AGN-PC-0P63QM) |
| Chemical Name | N-Boc-s-acetyl-cysteamine |
| IUPAC Name | S-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanethioate |
| InChI | InChI=1S/C9H17NO3S/c1-7(11)14-6-5-10-8(12)13-9(2,3)4/h5-6H2,1-4H3,(H,10,12) |
| InChI Key | SYLBKLDSMWKIJJ-UHFFFAOYSA-N |
| MDL Number | MFCD13195020 |
| Molecular Formula | C9H17NO3S |
| Molecular Weight | 219.3012 |
| SMILES | O=C(SCCNC(OC(C)(C)C)=O)C |
| Synonyms | 114326-10-2,
N-Boc-S-Acetyl-cysteamine,
N-(tert-butoxycarbonyl)-2-(acetylthio)ethylamine,
S-(2-((tert-Butoxycarbonyl)amino)ethyl) ethanethioate,
Ethanethioic acid,S-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl] ester,
S-{2-[(tert-Butoxycarbonyl)amino]ethyl} ethanethioate,
ACMC-1C8XH,
CTK4A8677,
DTXSID30557193,
MFCD13195020,
ZINC39094216,
AS-47093,
S-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] ethanethioate,
Ethanethioic acid, S-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl] ester,
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| Complexity | 211 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.299g/mol |
| Monoisotopic Mass | 219.093g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number