2-Thiophenecarbaldehyde oxime

Details

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Internal ID 9114cb56-85f0-4c0a-ab33-1c1a89152d7e
Taxonomy Organoheterocyclic compounds > Heteroaromatic compounds
IUPAC Name N-(thiophen-2-ylmethylidene)hydroxylamine
SMILES (Canonical) C1=CSC(=C1)C=NO
SMILES (Isomeric) C1=CSC(=C1)C=NO
InChI InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H
InChI Key GASLBPLHYRZLLT-UHFFFAOYSA-N
Popularity 25 references in papers

Physical and Chemical Properties

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Molecular Formula C5H5NOS
Molecular Weight 127.17 g/mol
Exact Mass 127.00918496 g/mol
Topological Polar Surface Area (TPSA) 60.80 Ų
XlogP 1.90

Synonyms

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29683-84-9
N-(thiophen-2-ylmethylidene)hydroxylamine
thiophene-2-carboxaldehyde oxime
Thiophenaldoxim
thienyl nitrone
(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine
Bionet2_000998
SCHEMBL2160985
GASLBPLHYRZLLT-UHFFFAOYSA-N
DTXSID701301272
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-Thiophenecarbaldehyde oxime

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 86.27% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.97% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.06% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.03% 86.33%
CHEMBL2581 P07339 Cathepsin D 81.51% 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.
Capparis spinosa

Cross-Links

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PubChem 97275
LOTUS LTS0207548
wikiData Q105106245