1-Methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene

Details

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Internal ID 350032c0-76a5-474a-9b77-12a35fcda1f4
Taxonomy Organosulfur compounds > Organic disulfides > Dialkyldisulfides
IUPAC Name 1-methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene
SMILES (Canonical) CSC=CCSSCC=CSC
SMILES (Isomeric) CSC=CCSSCC=CSC
InChI InChI=1S/C8H14S4/c1-9-5-3-7-11-12-8-4-6-10-2/h3-6H,7-8H2,1-2H3
InChI Key DMYGEKAQMJACKL-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C8H14S4
Molecular Weight 238.50 g/mol
Exact Mass 237.99783514 g/mol
Topological Polar Surface Area (TPSA) 101.00 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-Methylsulfanyl-3-(3-methylsulfanylprop-2-enyldisulfanyl)prop-1-ene

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
CHEMBL230 P35354 Cyclooxygenase-2 86.23% 89.63%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.84% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.27% 96.09%

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.
Ferula foetida

Cross-Links

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PubChem 85408819
LOTUS LTS0106033
wikiData Q104985394