3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester

CAS 1822-66-8  ·  C10H12O6S  ·  MW 260.27 g/mol

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3D model 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester, CAS 1822-66-8, molecular formula C10H12O6S, molar mass 260.27 g/mol
About 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester

3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester is a chemical compound registered under number CAS 1822-66-8, with the molecular formula C10H12O6S, and a molar mass of 260.27 g/mol.

The molecule contains 29 atoms connected by 29 chemical bonds. The full systematic IUPAC name of this compound is diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 3.1 (positive value, a lipophilic compound), polar surface area PSA = 121 Ų, 2 donors and 7 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC10H12O6S
Masa molowa260.27 g/mol
IUPACdiethyl 3,4-dihydroxythiophene-2,5-dicarboxylate
SMILESCCOC(=O)C1=C(C(=C(S1)C(=O)OCC)O)O
InChIKeyYOKOBAHUBJPMGP-UHFFFAOYSA-N
logP (XLogP3)3.1
PSA121 Ų
HBD / HBA2 / 7
PubChem CIDCID 245503 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

14 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (14 articles)

2007: 2 articles20072008: 1 articles2010: 2 articles20102011: 1 articles2018: 1 articles2018

Bar height = number of articles per year. Hover dla szczegółów.

(1822) · Dendrologische Flora der Umgegend und der Gärten Berlins
$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester (CAS 1822-66-8), C10H12O6S - 3D ball-and-stick molecular model, engraved element symbols (C H O S), MolGod STL previewPobierz obraz

MG-STL-1822-66-8-GRAVERED · 396,106 △ · 19 MB · SHA-256 d0e8fc77f90b9138

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3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester (CAS 1822-66-8), C10H12O6S - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

MG-STL-1822-66-8-NORMAL · 12,064 △ · 589 KB · SHA-256 79cdb5a1fbc3cf71

Download 3D model

Model
3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester · 1822-66-8
InChIKey
YOKOBAHUBJPMGP-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester (CAS 1822-66-8)
License & provenance record
3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester (CAS 1822-66-8) →
MolGod molecule record
3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester →
Source data
PubChem CID 245503 ↗
Model information
STL generated by MolGod · MolGod STL Exporter @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
79cdb5a1fbc3cf7198722a18d42feaa8df147f33ea0381bc93e90cb354e45a9f
MD5 (STL)
d80f8a0d33247dc51a869b0c474dfdf1
Model identifier
MG-STL-1822-66-8
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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