2,3,5-Trithiahexane

Details

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Internal ID 80be1ac4-e830-4490-8c44-3bfd841117e3
Taxonomy Organosulfur compounds > Organic disulfides > Dialkyldisulfides
IUPAC Name (methyldisulfanyl)-methylsulfanylmethane
SMILES (Canonical) CSCSSC
SMILES (Isomeric) CSCSSC
InChI InChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3
InChI Key MYIOBINSHMEDEY-UHFFFAOYSA-N
Popularity 38 references in papers

Physical and Chemical Properties

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Molecular Formula C3H8S3
Molecular Weight 140.30 g/mol
Exact Mass 139.97881378 g/mol
Topological Polar Surface Area (TPSA) 75.90 Ų
XlogP 1.70

Synonyms

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42474-44-2
2,4,5-Trithiahexane
Disulfide, methyl (methylthio)methyl
Methyl methylthiomethyl disulfide
(methyldisulfanyl)-methylsulfanylmethane
Methyl (methylthio)methyl disulfide
OSU2L4337E
CHEBI:89632
NISTC42474442
Methane, (methyldithio)(methylthio)-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,3,5-Trithiahexane

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 84.79% 96.09%
CHEMBL2581 P07339 Cathepsin D 81.61% 98.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 93236
LOTUS LTS0193791
wikiData Q27161829