≥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.
| Pubchem Sid | 504758518 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758518 |
| Canonical Smiles | C1=CSC(=C2SC=C(S2)C=O)S1 |
| IUPAC Name | 2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde |
| InChIKey | NDJHQJARYXJFDI-UHFFFAOYSA-N |
| INCHI | 1S/C7H4OS4/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-4H |
| Isomeric SMILES | C1=CSC(=C2SC=C(S2)C=O)S1 |
| Molecular Weight | 232.35 |
| Reaxy-Rn | 1682113 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1682113&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 | Organic acids and derivatives |
| Class | Vinylogous thioesters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Vinylogous thioesters |
| Alternative Parents | 1,3-dithioles Thioenol ethers Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Vinylogous thioester - Dithiole - 1,3-dithiole - Thioenolether - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as vinylogous thioesters. These are organic compounds containing a thioester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2328368 | Certificate of Analysis | Aug 19, 2023 | F156627 |
| H2328459 | Certificate of Analysis | Aug 19, 2023 | F156627 |
| H2328460 | Certificate of Analysis | Aug 19, 2023 | F156627 |
| H2328461 | Certificate of Analysis | Aug 19, 2023 | F156627 |
| H2328462 | Certificate of Analysis | Aug 19, 2023 | F156627 |
| H2328463 | Certificate of Analysis | Aug 19, 2023 | F156627 |
| Melt Point(°C) | 113 °C |
|---|---|
| Molecular Weight | 232.400 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.914 Da |
| Monoisotopic Mass | 231.914 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| 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 |
