General
Preferred name
Trithiophene
Synonyms
¦Á-?Terthiophene ()
¦Á-Terthienyl ()
??-Terthienyl ()
2,2':5',2''-Terthiophene ()
??-?Terthiophene ()
α-?Terthiophene ()
α-Terthienyl ()
ALPHA-TERTHIENYL ()
P&D ID
PD088342
CAS
1081-34-1
Tags
available
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 ]]
Cell lines
0
Organisms
4
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
247.98
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
3
cLogP
5.21
TPSA
0.0
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
antibiotic
Bacterial
Source data
