2-[(S)-methylsulfanylsulfinyl]pyridine

Details

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Internal ID bcf45f8c-2d73-4a45-bdb4-e21b6bb04daf
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives
IUPAC Name 2-[(S)-methylsulfanylsulfinyl]pyridine
SMILES (Canonical) CSS(=O)C1=CC=CC=N1
SMILES (Isomeric) CS[S@](=O)C1=CC=CC=N1
InChI InChI=1S/C6H7NOS2/c1-9-10(8)6-4-2-3-5-7-6/h2-5H,1H3/t10-/m0/s1
InChI Key WKYZLOQGWIFQQP-JTQLQIEISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C6H7NOS2
Molecular Weight 173.30 g/mol
Exact Mass 172.99690619 g/mol
Topological Polar Surface Area (TPSA) 74.50 Ų
XlogP 0.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[(S)-methylsulfanylsulfinyl]pyridine

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 95.75% 92.51%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.02% 96.09%
CHEMBL2581 P07339 Cathepsin D 88.43% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.44% 86.33%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 84.11% 93.10%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.76% 93.65%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.54% 95.56%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.90% 96.67%
CHEMBL3401 O75469 Pregnane X receptor 80.39% 94.73%

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 163014456
LOTUS LTS0075574
wikiData Q105307806