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

• CAS: 98837-51-5
• Catalog Number: ACM98837515-3
• Category: Polymer/Macromolecule
• Molecular Weight: Mw 54,000 (typical)
• Molecular Formula: C10H16S
• 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.
• Synonyms: P3BT
• IUPAC Name: 3-butyl-2,5-dimethylthiophene
• 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
• CompoundIs 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
• H-Bond Acceptor: 1
• H-Bond Donor: 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
• Quality Level: 100
• 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