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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 | CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC=C3C(=O)OC(OC3=O)(C)C |
|---|---|
| IUPAC Name | N-[4-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-1,3-thiazol-4-yl]phenyl]acetamide |
| InChIKey | MFDAHBRNZDUWRV-UHFFFAOYSA-N |
| INCHI | 1S/C18H17N3O5S/c1-10(22)20-12-6-4-11(5-7-12)14-9-27-17(21-14)19-8-13-15(23)25-18(2,3)26-16(13)24/h4-9H,1-3H3,(H,19,21)(H,20,22) |
| Molecular Weight | 387.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetanilides |
| Alternative Parents | N-acetylarylamines Secondary alkylarylamines 2,4-disubstituted thiazoles Ketals 1,3-dioxanes 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Vinylogous amides Acetamides Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Lactones Amino acids and derivatives Oxacyclic compounds Enamines Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Acetanilide - N-acetylarylamine - N-arylamide - 2,4-disubstituted 1,3-thiazole - Ketal - Secondary aliphatic/aromatic amine - Meta-dioxane - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Acetamide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Secondary amine - Enamine - Oxacycle - Acetal - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 387.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 387.089 Da |
| Monoisotopic Mass | 387.089 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 621.000 |
| 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 |