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 16 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488194417 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194417 |
| Canonical Smiles | COC(=O)C1=C(C=CS1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 |
| IUPAC Name | methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate |
| InChIKey | KPCLPBLTPXDOIR-UHFFFAOYSA-N |
| INCHI | 1S/C14H13NO6S2/c1-19-14(16)13-12(4-5-22-13)23(17,18)15-7-9-2-3-10-11(6-9)21-8-20-10/h2-6,15H,7-8H2,1H3 |
| Isomeric SMILES | COC(=O)C1=C(C=CS1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3 |
| RTECS | WG2934500 |
| PubChem CID | 3476271 |
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 | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Thiophene carboxylic acids and derivatives Organosulfonamides Benzenoids Methyl esters Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Thiophene carboxylic acid or derivatives - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Methyl ester - Aminosulfonyl compound - Thiophene - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| 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 |
|---|---|---|---|
 L2512123 | Certificate of Analysis | Dec 16, 2025 | T196271 |
| L2503028 | Certificate of Analysis | Dec 08, 2025 | T196271 |
| K2527001 | Certificate of Analysis | Nov 28, 2025 | T196271 |
| F23021189 | Certificate of Analysis | Jul 30, 2025 | T196271 |
| G2525020 | Certificate of Analysis | Jul 30, 2025 | T196271 |
| F2505021 | Certificate of Analysis | Jun 06, 2025 | T196271 |
| E2512103 | Certificate of Analysis | May 16, 2025 | T196271 |
| D2515029 | Certificate of Analysis | Apr 24, 2025 | T196271 |
| J2408269 | Certificate of Analysis | Oct 17, 2024 | T196271 |
| C2303155 | Certificate of Analysis | Mar 07, 2023 | T196271 |
| B2309165 | Certificate of Analysis | Sep 26, 2022 | T196271 |
| I2222483 | Certificate of Analysis | Sep 26, 2022 | T196271 |
| I1821069 | Certificate of Analysis | Jul 20, 2022 | T196271 |
| F2302189 | Certificate of Analysis | Jun 20, 2022 | T196271 |
| H1821153 | Certificate of Analysis | Jun 20, 2022 | T196271 |
| Flash Point(°F) | 315°C(lit.) |
|---|---|
| Flash Point(°C) | 315°C(lit.) |
| Melt Point(°C) | -20 °C |
| Molecular Weight | 355.400 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 355.018 Da |
| Monoisotopic Mass | 355.018 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 534.000 |
| 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 |
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