≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCOC(=O)CNC(=S)NNC1=C(C=C(C=N1)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | ethyl 2-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioylamino]acetate |
| InChIKey | GBOQLZHDNHNXBP-UHFFFAOYSA-N |
| INCHI | 1S/C11H12ClF3N4O2S/c1-2-21-8(20)5-17-10(22)19-18-9-7(12)3-6(4-16-9)11(13,14)15/h3-4H,2,5H2,1H3,(H,16,18)(H2,17,19,22) |
| Isomeric SMILES | CCOC(=O)CNC(=S)NNC1=C(C=C(C=N1)C(F)(F)F)Cl |
| PubChem CID | 2774340 |
| Molecular Weight | 356.75 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Pyridines and derivatives Aryl chlorides Imidolactams Thiosemicarbazides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Hydrocarbon derivatives Organofluorides Organopnictogen compounds Carbonyl compounds Alkyl fluorides Organosulfur compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid ester - Aryl chloride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Thiosemicarbazide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 356.750 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 356.032 Da |
| Monoisotopic Mass | 356.032 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 400.000 |
| 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 |
![Ethyl 2-[({2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazino}carbothioyl)amino]acetate - ≥95% , CAS No.321433-74-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)