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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC=CC=C3C)O |
|---|---|
| IUPAC Name | (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChIKey | NVLVDUNCDWPGEQ-BOPFTXTBSA-N |
| INCHI | 1S/C19H17NO3S2/c1-3-23-16-10-13(8-9-15(16)21)11-17-18(22)20(19(24)25-17)14-7-5-4-6-12(14)2/h4-11,21H,3H2,1-2H3/b17-11- |
| Molecular Weight | 371.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Toluenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Thiazolidinethiones Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Monocyclic benzene moiety - Thiazolidinethione - Thiazolidine - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 371.500 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 371.065 Da |
| Monoisotopic Mass | 371.065 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 551.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one , CAS No.301229-45-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)