| Pubchem Sid | 488185975 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185975 |
| Sonrisas canónicas | C1C(=O)N(C(=S)S1)CCC(=O)O |
| IUPAC Name | 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| InChIKey | SWAHCTPCIUXXTQ-UHFFFAOYSA-N |
| INCHI | 1S/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10) |
| Isómeros SMILES | C1C(=O)N(C(=S)S1)CCC(=O)O |
| RTECS | XJ6094060 |
| PubChem CID | 81492 |
| Peso molecular | 205.25 |
| Reaxy-Rn | 1075880 |
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 |
| Clase | Azolidines |
| Subclass | Thiazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazolidinethiones |
| Alternative Parents | Cyclic dithiocarbamic acid esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Thiazolidinethione - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiazolidinethiones. These are heterocyclic compounds containing a thiazolidinethione ring which bears one thioketone group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2321518 | Certificate of Analysis | Jun 27, 2023 | R160853 |
| G2321520 | Certificate of Analysis | Jun 27, 2023 | R160853 |
| G2321526 | Certificate of Analysis | Jun 27, 2023 | R160853 |
| G2321540 | Certificate of Analysis | Jun 27, 2023 | R160853 |
| G2321560 | Certificate of Analysis | Jun 27, 2023 | R160853 |
| G2321565 | Certificate of Analysis | Jun 27, 2023 | R160853 |
| Punto de fusión (°C) | 158.0—162.0 °C |
|---|---|
| Peso molecular | 205.300 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 204.987 Da |
| Monoisotopic Mass | 204.987 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 241.000 |
| 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 |
| 1. Wenqingqing Kang, Henry H. Y. Tong, Shu Li. (2025) Discovery of Potential Tyrosinase Inhibitors via Machine Learning and Molecular Docking with Experimental Validation of Activity and Skin Permeation. ACS Omega, [PMID:40918329] [10.1021/acsomega.5c04807] |
