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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCN(CC1)CC(=S)N |
|---|---|
| IUPAC Name | tert-butyl 4-(2-amino-2-sulfanylideneethyl)piperazine-1-carboxylate |
| InChIKey | PZMRLAGHAAUVBF-UHFFFAOYSA-N |
| INCHI | 1S/C11H21N3O2S/c1-11(2,3)16-10(15)14-6-4-13(5-7-14)8-9(12)17/h4-8H2,1-3H3,(H2,12,17) |
| Peso molecular | 259.370 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Piperazine carboxylic acids and derivatives |
| Direct Parent | Piperazine carboxylic acids |
| Alternative Parents | N-alkylpiperazines Thioamides Carbamate esters Trialkylamines Thiocarboxylic acid amides Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperazine-1-carboxylic acid - N-alkylpiperazine - Thioamide - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Thiocarboxylic acid amide - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Thiocarbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Peso molecular | 259.370 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 259.135 Da |
| Monoisotopic Mass | 259.135 Da |
| Topological Polar Surface Area | 90.900 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |