≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 1.8 |
|---|
| Canonical Smiles | CC(C)(C)OC(=O)N1C2CC1CSC2 |
|---|---|
| InChIKey | NDDRKVOFPUVRFU-UHFFFAOYSA-N |
| INCHI | 1S/C10H17NO2S/c1-10(2,3)13-9(12)11-7-4-8(11)6-14-5-7/h7-8H,4-6H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C2CC1CSC2 |
| PubChem CID | 102218592 |
| Molecular Weight | 215.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiazinanes |
| Subclass | Thiomorpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiomorpholine carboxylic acids and derivatives |
| Alternative Parents | Azetidinecarboxylic acids Thianes Carbamate esters Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Thiomorpholine-4-carboxylic acid - Azetidinecarboxylic acid - Thiane - Carbamic acid ester - Azetidine - Thioether - Azacycle - Dialkylthioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiomorpholine carboxylic acids and derivatives. These are heterocyclic compounds containing a thiomorpholine ring substituted by one or more carboxylic acid groups (or derivative thereof). Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 215.310 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 215.098 Da |
| Monoisotopic Mass | 215.098 Da |
| Topological Polar Surface Area | 54.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![tert-butyl 3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate - ≥97% CAS No(1520084-10-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/6/T678273.jpg)