≥99%(HPLC) 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.
| Pubchem Sid | 504762252 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762252 |
| Canonical Smiles | CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C |
| IUPAC Name | N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide |
| InChIKey | JEFVYQYZCAVNTP-UHFFFAOYSA-N |
| INCHI | 1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17) |
| Isomeric SMILES | CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C |
| WGK Germany | 1 |
| Molecular Weight | 277.34 |
| Reaxy-Rn | 1005677 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1005677&ln= |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Thiadiazolines Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Acetamide - Thiadiazoline - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2111027 | Certificate of Analysis | Jul 12, 2024 | K286738 |
| J2111028 | Certificate of Analysis | Jul 12, 2024 | K286738 |
| J2111029 | Certificate of Analysis | Jul 12, 2024 | K286738 |
| J2111030 | Certificate of Analysis | Jul 12, 2024 | K286738 |
| J2111031 | Certificate of Analysis | Jul 12, 2024 | K286738 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 27.73, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.77, Max Conc. mM: 10 |
|---|---|
| Molecular Weight | 277.340 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 277.088 Da |
| Monoisotopic Mass | 277.088 Da |
| Topological Polar Surface Area | 87.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 418.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
