General
Preferred name
Thiophene-2-carboxaldehyde
Synonyms
2-Thiophenecarboxaldehyde ()
Thiophene-2-Carbaldehyde ()
2-THIOPHENENECARBOXALDEHYDE ()
P&D ID
PD158300
CAS
98-03-3
Tags
available
natural product
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
112.0
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.56
TPSA
17.07
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
