2,4,5,7-Tetrathiaoctane-4-oxide

Details

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Internal ID ae638bdf-666f-49a7-995e-3bc52f0051a8
Taxonomy Organic acids and derivatives > Thiosulfinic acid esters
IUPAC Name methylsulfanyl(methylsulfanylmethylsulfinylsulfanyl)methane
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C4H10OS4/c1-6-3-8-9(5)4-7-2/h3-4H2,1-2H3
InChI Key OLGUWIFTRJBTOD-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C4H10OS4
Molecular Weight 202.40 g/mol
Exact Mass 201.96144963 g/mol
Topological Polar Surface Area (TPSA) 112.00 Ų
XlogP 1.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,4,5,7-Tetrathiaoctane-4-oxide

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.90% 96.09%
CHEMBL2581 P07339 Cathepsin D 86.57% 98.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Tulbaghia violacea

Cross-Links

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PubChem 91219405
LOTUS LTS0225913
wikiData Q105193969