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 & Provenance

MolGod 3D molecular model
alpha-Endosulfan — CAS 959-98-8

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

MolGod License & Provenance Record:
alpha-Endosulfan (CAS 959-98-8) — License & Provenance

Source:
alpha-Endosulfan (CAS 959-98-8) — MolGod molecule record

Source data: PubChem CID 12309460

STL: Download 3D model (517 KB)

SHA-256: a287a51051173bf0c2f4c4875555191ab90945c90effd438cdb5565b02e7f9e1

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Source data: PubChem CID 12309460

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