Molecule record

1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide

C₉H₆Cl₆O₃S

406.93 g/mol

Loading structure

Molecular properties

Formula: C₉H₆Cl₆O₃S
Molar mass: 406.93 g·mol⁻¹
Exact mass: 403.8169 Da
: 4
PubChem CID: 3224

Functional groups

Alkane / alkyl carbon

Alkene

Alkyl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

115-29-7
Benzoepin
Beosit
Chlorthiepin
Crisulfan
Devisulphan
Endocel
Endosulphan

Show all 24 synonyms

Endotaf
Hildan
Insectophene
Malix
Phaser
Rasayansulfan
Sialan
Thifor
Thimul
Thiodan
Thiodan 35
Thionex
Thiosulfan
Tionex
Tiovel
endosulfan

Structure identifiers

Canonical SMILES: O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Isomeric SMILES: C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
InChIKey: RDYMFSUJUZBWLH-UHFFFAOYSA-N
PubChem CID: 3224

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record