Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% 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.
| Pubchem Sid | 488187066 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187066 |
| Canonical Smiles | C1C(=O)N(C(=S)S1)CC2=CC=CC=C2 |
| IUPAC Name | 3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChIKey | ZFHVUMCTGGAWBM-UHFFFAOYSA-N |
| INCHI | 1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| Isomeric SMILES | C1C(=O)N(C(=S)S1)CC2=CC=CC=C2 |
| RTECS | VI7800000 |
| Molecular Weight | 223.31 |
| Beilstein | 27(3/4)3192 |
| Reaxy-Rn | 155718 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=155718&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 | Not available |
| Direct Parent | Thiazolidinethiones |
| Alternative Parents | Benzene and substituted derivatives Cyclic dithiocarbamic acid esters Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 24, 2024 | B152766 | |
| Certificate of Analysis | Apr 24, 2024 | B152766 | |
| Certificate of Analysis | Feb 27, 2023 | B152766 | |
| Certificate of Analysis | Feb 27, 2023 | B152766 | |
| Certificate of Analysis | Feb 27, 2023 | B152766 | |
| Certificate of Analysis | Feb 27, 2023 | B152766 | |
| Certificate of Analysis | Feb 27, 2023 | B152766 | |
| Certificate of Analysis | Feb 27, 2023 | B152766 |
| Melt Point(°C) | 89 °C |
|---|---|
| Molecular Weight | 223.300 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 223.013 Da |
| Monoisotopic Mass | 223.013 Da |
| Topological Polar Surface Area | 77.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| 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 |