Alpha-Endosulfan

CAS 959-98-8  ·  C9H6Cl6O3S  ·  MW 406.9 g/mol

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3D model alpha-Endosulfan, CAS 959-98-8, molecular formula C9H6Cl6O3S, molar mass 406.9 g/mol
About Alpha-Endosulfan

Alpha-Endosulfan is a chemical compound registered under number CAS 959-98-8, with the molecular formula C9H6Cl6O3S, and a molar mass of 406.9 g/mol.

The molecule contains 25 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is (1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide. 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 = 3.8 (positive value, a lipophilic compound), polar surface area PSA = 54.7 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 formulaC9H6Cl6O3S
Masa molowa406.9 g/mol
IUPAC(1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
SMILESC1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChIKeyRDYMFSUJUZBWLH-AZVNHNRSSA-N
logP (XLogP3)3.8
PSA54.7 Ų
HBD / HBA0 / 4
PubChem CIDCID 12309460 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS09
GHS09

H301 — Działa toksycznie po połknięciu

H400 — Działa bardzo toksycznie na organizmy wodne

Scientific literature

Related literature

3 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (3 articles)

2004: 1 articles20042012: 2 articles2012

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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
ALPHA-ENDOSULFAN · 959-98-8 · alpha-Benzoepin · alpha-Thiodan · beta-Thionex · Endosulfan 1 · QY5Y9R7G0E · THIODAN I · 5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo- · RefChem:915511 · 625-034-9 · Endosulfan I · BETA-ENDOSULFAN · 33213-65-9 · Endosulfan II
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
alpha-Endosulfan · 959-98-8
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
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MolGod molecule record
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Source data
PubChem CID 12309460 ↗
SHA-256 (STL)
a287a51051173bf0c2f4c4875555191ab90945c90effd438cdb5565b02e7f9e1
Wikimedia Commons
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