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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC |
|---|---|
| IUPAC Name | N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]acetamide |
| InChIKey | VLSDMFNHTNCCOB-UHFFFAOYSA-N |
| INCHI | 1S/C15H17N5O5S2/c1-9(21)16-15(26)17-10-4-6-11(7-5-10)27(22,23)20-12-8-13(24-2)19-14(18-12)25-3/h4-8H,1-3H3,(H,18,19,20)(H2,16,17,21,26) |
| Peso molecular | 411.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | N-phenylthioureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-acyl-phenylthioureas |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Organosulfonamides Imidolactams Acetamides Aminosulfonyl compounds Heteroaromatic compounds Thioureas Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-acyl-phenylthiourea - Benzenesulfonamide - Benzenesulfonyl group - Alkyl aryl ether - Pyrimidine - Organosulfonic acid amide - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Acetamide - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated. |
| External Descriptors | Not available |
| Peso molecular | 411.500 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 411.067 Da |
| Monoisotopic Mass | 411.067 Da |
| Topological Polar Surface Area | 172.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 619.000 |
| 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 |
![4-{[(acetylamino)carbothioyl]amino}-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide , CAS No.712318-32-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)