≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCC2 |
|---|---|
| IUPAC Name | dimethyl 2-(pyrrolidine-1-carbothioylamino)benzene-1,4-dicarboxylate |
| InChIKey | GSONYZPMJCWOJU-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2O4S/c1-20-13(18)10-5-6-11(14(19)21-2)12(9-10)16-15(22)17-7-3-4-8-17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,22) |
| Molecular Weight | 322.4 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives - Phthalate esters |
| Direct Parent | p-Phthalate esters |
| Alternative Parents | P-phthalic acid and derivatives N-phenylthioureas Benzoic acid esters Benzoyl derivatives Dicarboxylic acids and derivatives Vinylogous amides Pyrrolidines Methyl esters Thioureas Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - N-phenylthiourea - Benzoyl - Dicarboxylic acid or derivatives - Pyrrolidine - Methyl ester - Vinylogous amide - Carboxylic acid ester - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 322.400 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 322.099 Da |
| Monoisotopic Mass | 322.099 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 437.000 |
| 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 |
![Dimethyl 2-[(pyrrolidin-1-ylcarbonothioyl)amino]terephthalate - ≥98% , CAS No.717833-33-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)