2,5-Thiophenedicarboxaldehyde

Details

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Internal ID 41b8b0cb-b339-4406-b81e-cda4d75066b2
Taxonomy Organoheterocyclic compounds > Thiophenes > 2,5-disubstituted thiophenes
IUPAC Name thiophene-2,5-dicarbaldehyde
SMILES (Canonical) C1=C(SC(=C1)C=O)C=O
SMILES (Isomeric) C1=C(SC(=C1)C=O)C=O
InChI InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H
InChI Key OTMRXENQDSQACG-UHFFFAOYSA-N
Popularity 59 references in papers

Physical and Chemical Properties

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Molecular Formula C6H4O2S
Molecular Weight 140.16 g/mol
Exact Mass 139.99320054 g/mol
Topological Polar Surface Area (TPSA) 62.40 Ų
XlogP 1.20

Synonyms

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Thiophene-2,5-dicarbaldehyde
932-95-6
Thiophene-2,5-dicarboxaldehyde
2,5-Diformylthiophene
2,5-Thiophenedicarbaldehyde
2,5-Thiophenedial
2,5-Diformylthiophen
BIDD:GT0835
SCHEMBL178830
2,5-thiophene dicarboxaldehyde
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,5-Thiophenedicarboxaldehyde

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.54% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.58% 93.40%
CHEMBL2093869 P05106 Integrin alpha-IIb/beta-3 83.25% 95.42%
CHEMBL1951 P21397 Monoamine oxidase A 82.31% 91.49%

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 587784
LOTUS LTS0212049
wikiData Q72508839