2,3-Thiophenedicarboxaldehyde

Details

• Internal ID: 74f13551-fbad-4e7b-a4b0-4b6358e15c7a
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Aryl-aldehydes
• IUPAC Name: thiophene-2,3-dicarbaldehyde
• SMILES (Canonical): C1=CSC(=C1C=O)C=O
• SMILES (Isomeric): C1=CSC(=C1C=O)C=O
• InChI: InChI=1S/C6H4O2S/c7-3-5-1-2-9-6(5)4-8/h1-4H
• InChI Key: WSEJZRIZDQWMKQ-UHFFFAOYSA-N
• Popularity: 17 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₄O₂S
• Molecular Weight: 140.16 g/mol
• Exact Mass: 139.99320054 g/mol
• Topological Polar Surface Area (TPSA): 62.40 Ų
• XlogP: 0.90

Synonyms

• 932-41-2
• Thiophene-2,3-dicarbaldehyde
• 2,3-Thiophene-dicarbaldehyde
• 2,3-Diformylthiophene
• MFCD00209616
• diformylthiophene
• 2,3-Thiophenedicarbaldehyde
• 2,3-dicarboxaldehydethiophene
• BIDD:GT0218
• SCHEMBL225281
• DTXSID70341538
• AMY19118
• 2,3-Thiophenedicarboxaldehyde, 97%
• 2 pound not3-Thiophene-dicarbaldehyde
• AKOS015856628
• AC-1627
• CS-W014359
• AS-37818
• SY025583
• FT-0691376
• T2388
• EN300-111408
• AI-942/25034143
• J-524958
• InChI=1/C6H4O2S/c7-3-5-1-2-9-6(5)4-8/h1-4

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	96.78%	98.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.99%	95.56%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	88.90%	85.30%
CHEMBL3492	P49721	Proteasome Macropain subunit	84.37%	90.24%
CHEMBL4208	P20618	Proteasome component C5	83.27%	90.00%
CHEMBL4578	Q14680	Maternal embryonic leucine zipper kinase	80.67%	81.58%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.47%	94.45%

Plants that contains it

• Allium ampeloprasum

Cross-Links

• PubChem: 573752
• LOTUS: LTS0226363
• wikiData: Q72508842