Diethyl sulfide

Details

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Internal ID 4505f010-6707-4424-9650-ba5fdbcf409a
Taxonomy Organosulfur compounds > Thioethers > Dialkylthioethers
IUPAC Name ethylsulfanylethane
SMILES (Canonical) CCSCC
SMILES (Isomeric) CCSCC
InChI InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
InChI Key LJSQFQKUNVCTIA-UHFFFAOYSA-N
Popularity 811 references in papers

Physical and Chemical Properties

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Molecular Formula C4H10S
Molecular Weight 90.19 g/mol
Exact Mass 90.05032149 g/mol
Topological Polar Surface Area (TPSA) 25.30 Ų
XlogP 1.90

Synonyms

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Ethyl sulfide
352-93-2
Ethyl thioether
3-Thiapentane
ethylsulfanylethane
Thioethyl ether
Ethylthioethane
Diethylthioether
1,1'-THIOBISETHANE
Diethyl sulphide
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Diethyl sulfide

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 86.89% 96.09%
CHEMBL2581 P07339 Cathepsin D 82.69% 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.
Zingiber officinale

Cross-Links

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PubChem 9609
NPASS NPC196982