Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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 | 488194402 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194402 |
| Canonical Smiles | COC(=O)C1=CC2=C(S1)CSC2 |
| IUPAC Name | methyl 4,6-dihydrothieno[3,4-b]thiophene-2-carboxylate |
| InChIKey | HHUQUYKPAMERGU-UHFFFAOYSA-N |
| INCHI | 1S/C8H8O2S2/c1-10-8(9)6-2-5-3-11-4-7(5)12-6/h2H,3-4H2,1H3 |
| Isomeric SMILES | COC(=O)C1=CC2=C(S1)CSC2 |
| Molecular Weight | 200.27 |
| Reaxy-Rn | 1344614 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1344614&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 | Thienothiophenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienothiophenes |
| Alternative Parents | Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Methyl esters Heteroaromatic compounds Dialkylthioethers Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienothiophene - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Dialkylthioether - Thioether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienothiophenes. These are organic compounds containing two thiophene rings fused to each other. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Dec 16, 2022 | M157941 | |
| Certificate of Analysis | Dec 16, 2022 | M157941 | |
| Certificate of Analysis | Dec 16, 2022 | M157941 | |
| Certificate of Analysis | Dec 16, 2022 | M157941 | |
| Certificate of Analysis | Dec 16, 2022 | M157941 | |
| Certificate of Analysis | Dec 16, 2022 | M157941 | |
| Certificate of Analysis | Dec 16, 2022 | M157941 |
| Sensitivity | light sensitive |
|---|---|
| Melt Point(°C) | 97 °C |
| Molecular Weight | 200.300 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 199.997 Da |
| Monoisotopic Mass | 199.997 Da |
| Topological Polar Surface Area | 79.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 195.000 |
| 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 |