Methylsulfanyl(methylsulfanylmethylsulfonyl)methane

Details

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Internal ID 10d76f45-f138-4e3c-b0b7-b22d177f744d
Taxonomy Organosulfur compounds > Sulfonyls > Sulfones
IUPAC Name methylsulfanyl(methylsulfanylmethylsulfonyl)methane
SMILES (Canonical) CSCS(=O)(=O)CSC
SMILES (Isomeric) CSCS(=O)(=O)CSC
InChI InChI=1S/C4H10O2S3/c1-7-3-9(5,6)4-8-2/h3-4H2,1-2H3
InChI Key UJXNYBIMCSASPJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C4H10O2S3
Molecular Weight 186.30 g/mol
Exact Mass 185.98429308 g/mol
Topological Polar Surface Area (TPSA) 93.10 Ų
XlogP 1.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methylsulfanyl(methylsulfanylmethylsulfonyl)methane

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
CHEMBL2581 P07339 Cathepsin D 83.78% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.62% 95.56%

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.
Dioncophyllum thollonii
Scorodophloeus zenkeri

Cross-Links

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PubChem 15326856
LOTUS LTS0211288
wikiData Q105274278