S-pyridin-2-yl Pyridine-2-sulfinothioate

Details

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Internal ID a8e32258-d583-4a53-8bf2-22d6a47fd876
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives
IUPAC Name 2-pyridin-2-ylsulfinylsulfanylpyridine
SMILES (Canonical) C1=CC=NC(=C1)SS(=O)C2=CC=CC=N2
SMILES (Isomeric) C1=CC=NC(=C1)SS(=O)C2=CC=CC=N2
InChI InChI=1S/C10H8N2OS2/c13-15(10-6-2-4-8-12-10)14-9-5-1-3-7-11-9/h1-8H
InChI Key PGSKEBNWYGTEOK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H8N2OS2
Molecular Weight 236.30 g/mol
Exact Mass 236.00780523 g/mol
Topological Polar Surface Area (TPSA) 87.40 Ų
XlogP 1.70

Synonyms

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SY359052
201747-50-4

2D Structure

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2D Structure of S-pyridin-2-yl Pyridine-2-sulfinothioate

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
CHEMBL2039 P27338 Monoamine oxidase B 95.62% 92.51%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 89.00% 94.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.71% 86.33%
CHEMBL2581 P07339 Cathepsin D 82.93% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.45% 96.09%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.01% 96.67%

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.
Allium stipitatum

Cross-Links

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PubChem 85765250
LOTUS LTS0181929
wikiData Q105208643