CAS 98837-51-5 Poly(3-butylthiophene-2,5-diyl) - Functional Polymers / Alfa Chemistry

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

Catalog Number	ACM98837515-3
Product Name	Poly(3-butylthiophene-2,5-diyl)
CAS Number	98837-51-5
Structure
Synonyms	P3BT
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
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.
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
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Linear Formula	C10H16S
Monoisotopic Mass	168.09727168g/mol
Type	Light-Emitting Polymers (LEPs)
Rotatable Bond Count	3
Topological Polar Surface Area	28.2Å²
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3