1,4-Oxathiane-2,6-dione

CAS 3261-87-8  ·  C4H4O3S  ·  MW 132.14 g/mol

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3D model 1,4-Oxathiane-2,6-dione, CAS 3261-87-8, molecular formula C4H4O3S, molar mass 132.14 g/mol
About 1,4-Oxathiane-2,6-dione

1,4-Oxathiane-2,6-dione is a chemical compound registered under number CAS 3261-87-8, with the molecular formula C4H4O3S, and a molar mass of 132.14 g/mol.

The molecule contains 12 atoms connected by 12 chemical bonds. The full systematic IUPAC name of this compound is 1,4-oxathiane-2,6-dione. 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 = 0.4 (positive value, a lipophilic compound), polar surface area PSA = 68.7 Ų, 0 donors and 4 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 formulaC4H4O3S
Masa molowa132.14 g/mol
IUPAC1,4-oxathiane-2,6-dione
SMILESC1C(=O)OC(=O)CS1
InChIKeyRIIUAPMWDSRBSH-UHFFFAOYSA-N
logP (XLogP3)0.4
PSA68.7 Ų
HBD / HBA0 / 4
PubChem CIDCID 137871 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
Scientific literature

Related literature

16 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (16 articles)

1973: 1 articles19731974: 1 articles1976: 1 articles2004: 3 articles2006: 1 articles20062009: 1 articles2012: 3 articles2015: 1 articles2021: 1 articles2021

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

Synonyms
1,4-Oxathiane-2,6-dione · 3261-87-8 · RefChem:416984 · 608-761-6 · Thiodiglycolic anhydride · MFCD00051689 · NSC147625 · C4H4O3S · 1-Oxa-4-thia-cyclohexan-2,6-dione · NSC 147625 · SCHEMBL2527775 · 1,4-Oxathiane-2,6-dione # · DAA26187 · STR03033 · Thiodiglycolic anhydride, AldrichCPR
Data sources
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License & Provenance

MolGod 3D molecular model
1,4-Oxathiane-2,6-dione — CAS 3261-87-8

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
1,4-Oxathiane-2,6-dione (CAS 3261-87-8) — License & Provenance

Source:
1,4-Oxathiane-2,6-dione (CAS 3261-87-8) — MolGod molecule record

Source data: PubChem CID 137871

STL: Download 3D model (244 KB)

SHA-256: db12165fdf598a8f9234e88008bbaf25e2e6ff8372e49184f5448161c014be06

Wikimedia Commons: not published yet

Source data: PubChem CID 137871

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