≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal 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.
| Canonical Smiles | CC(=O)SC1CN(C1)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl 3-acetylsulfanylazetidine-1-carboxylate |
| InChIKey | NCTWTOSRADIIRF-UHFFFAOYSA-N |
| INCHI | 1S/C10H17NO3S/c1-7(12)15-8-5-11(6-8)9(13)14-10(2,3)4/h8H,5-6H2,1-4H3 |
| Isomeric SMILES | CC(=O)SC1CN(C1)C(=O)OC(C)(C)C |
| PubChem CID | 18363257 |
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 | Azetidines |
| Subclass | Azetidinecarboxylic acids or derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azetidinecarboxylic acids |
| Alternative Parents | Carbamate esters Thioesters Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Azetidinecarboxylic acid - Carbamic acid ester - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 231.310 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 231.093 Da |
| Monoisotopic Mass | 231.093 Da |
| Topological Polar Surface Area | 71.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 |
