| CAS Number | 1339719-51-5 |
| Catalog Number | AG01EIG2 |
| Chemical Name | tert-butyl 4-(1-carbamothioylethyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(1-amino-1-sulfanylidenepropan-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C12H23N3O2S/c1-9(10(13)18)14-5-7-15(8-6-14)11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H2,13,18) |
| InChI Key | UFABUBXXUVUTQR-UHFFFAOYSA-N |
| MDL Number | MFCD18334806 |
| Molecular Formula | C12H23N3O2S |
| Molecular Weight | 273.3949 |
| SMILES | CC(C(N)=S)N1CCN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | AKOS012644119,
tert-butyl 4-(1-carbamothioylethyl)piperazine-1-carboxylate,
1339719-51-5,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.395g/mol |
| Monoisotopic Mass | 273.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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