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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=C(C=C1Cl)Cl)/C=C\2/C(=O)N(C(=O)S2)CCN |
|---|---|
| IUPAC Name | (5Z)-3-(2-aminoethyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| InChIKey | PDJUVXBUMWUATI-YHYXMXQVSA-N |
| INCHI | 1S/C12H10Cl2N2O2S/c13-8-2-1-7(9(14)6-8)5-10-11(17)16(4-3-15)12(18)19-10/h1-2,5-6H,3-4,15H2/b10-5- |
| Molecular Weight | 317.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Thiazolidinediones Aryl chlorides Dicarboximides Thiocarbamic acid derivatives Organic carbonic acids and derivatives Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,3-dichlorobenzene - Thiazolidinedione - Aryl chloride - Aryl halide - Dicarboximide - Thiazolidine - Amino acid or derivatives - Carbonic acid derivative - Thiocarbamic acid derivative - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Molecular Weight | 317.200 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 315.984 Da |
| Monoisotopic Mass | 315.984 Da |
| Topological Polar Surface Area | 88.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| 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 |