10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
NSC 31152 is a bioactive compound.
| Canonical Smiles | C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)Cl |
|---|---|
| IUPAC Name | 5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| InChIKey | OTTGINRZTJUWBT-UHFFFAOYSA-N |
| INCHI | 1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14) |
| Isomeric SMILES | C1=CC(=CC=C1C=C2C(=O)NC(=O)S2)Cl |
| Molecular Weight | 239.67 |
| Reaxy-Rn | 171030 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=171030&ln= |
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 | Azolidines |
| Subclass | Thiazolidines |
| Intermediate Tree Nodes | Thiazolidinones |
| Direct Parent | Thiazolidinediones |
| Alternative Parents | Chlorobenzenes Aryl chlorides Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorobenzene - Thiazolidinedione - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Thiocarbamic acid derivative - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazolidinediones. These are heterocyclic compounds containing a thiazolidine ring which bears two ketone groups. |
| External Descriptors | Not available |
| Molecular Weight | 239.680 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 238.981 Da |
| Monoisotopic Mass | 238.981 Da |
| Topological Polar Surface Area | 71.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
