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 | CN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CCC(=O)O)C1=O |
|---|---|
| IUPAC Name | 3-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
| InChIKey | TYQDZFOBJOYSFA-QXMHVHEDSA-N |
| INCHI | 1S/C15H12N2O4S2/c1-16-9-5-3-2-4-8(9)11(13(16)20)12-14(21)17(15(22)23-12)7-6-10(18)19/h2-5H,6-7H2,1H3,(H,18,19)/b12-11- |
| Isomeric SMILES | CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C1=O |
| PubChem CID | 1565811 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles and derivatives |
| Alternative Parents | Thiazolidinethiones Benzenoids Tertiary carboxylic acid amides Cyclic dithiocarbamic acid esters Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole or derivatives - Thiazolidinethione - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Carboxamide group - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
| External Descriptors | Not available |
| Molecular Weight | 348.400 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 348.024 Da |
| Monoisotopic Mass | 348.024 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 631.000 |
| 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 |
