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Poly(3-butylthiophene-2,5-diyl)

Catalog Number
ACM98837515-3
CAS Number
98837-51-5
Product Name
Poly(3-butylthiophene-2,5-diyl)
Structure
Category
3D Printing Materials; Bioelectronic Materials; Organic Light-Emitting Diode (OLED) Materials
Synonyms
P3BT
Description
Poly(3-butylthiophene-2,5-diyl) (P3BT) is an alkylthiophene based conducting polymer that can be used as a donor molecule in the development of organic electronics. It is a π-conjugating polymer with a π-π stacking distance of 0.395 nm.
Conducting polymer, 80-90% head-to-tail regiospecific conformation.
IUPAC Name
3-butyl-2,5-dimethylthiophene
Molecular Weight
Mw 54,000 (typical)
Molecular Formula
C10H16S
Canonical SMILES
CCCCC1=C(SC(=C1)C)C
InChI
InChI=1S/C10H16S/c1-4-5-6-10-7-8(2)11-9(10)3/h7H,4-6H2,1-3H3
InChI Key
DUOSBQJOYVIVOR-UHFFFAOYSA-N
Solubility
chlorinated solvents: soluble (partially soluble in THF, diethylether)
Appearance
black
Application
P3BT can act as a hole transporting layer (HTL) which can potentially be used in the fabrication of organic field effect transistors (OFETs), chemical sensors, rechargeable batteries and polymeric solar cells (PSCs).
Rechargeable battery electrodes, electrochromic devices, chemical and optical sensors, light-emitting diodes, microelectrical amplifiers, field-effect transistors and non-linear optical materials.
Storage
room temp
Complexity
111
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
168.09727168g/mol
Feature
Fluorescence:λex 440 nm; λem 567 nm in chloroform
Formal Charge
0
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
MDL Number
MFCD00677712
Monoisotopic Mass
168.09727168g/mol
Packaging
1 g in glass bottle
Rotatable Bond Count
3
Topological Polar Surface Area
28.2Ų
Type
Light-Emitting Polymers (LEPs)
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
4.3
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