3,4'-Dihexyl-2,2'-bithiophene - CAS 135926-93-1

Catalog:	BB008259
Product Name:	3,4'-Dihexyl-2,2'-bithiophene
CAS:	135926-93-1
Synonyms:	3-hexyl-2-(4-hexyl-2-thiophenyl)thiophene; 3-hexyl-2-(4-hexylthiophen-2-yl)thiophene

Technical Data

Patents

Computed Properties

IUPAC Name:	3-hexyl-2-(4-hexylthiophen-2-yl)thiophene
Description:	3,4'-Dihexyl-2,2'-bithiophene (CAS# 135926-93-1) is a useful research chemical.
Molecular Weight:	334.58
Molecular Formula:	C20H30S2
Canonical SMILES:	CCCCCCC1=C(SC=C1)C2=CC(=CS2)CCCCCC
InChI:	InChI=1S/C20H30S2/c1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChI Key:	FWQMKAFKIYUBKB-UHFFFAOYSA-N
Boiling Point:	429.2 °C at 760 mmHg
Appearance:	Pale yellow to deep yellow clear liquid
MDL:	MFCD15072161
LogP:	7.72220

Publication Number	Title	Priority Date
CN-111837250-A	Organic material and photoelectric conversion element	20180315
US-10062854-B2	Organic material and photoelectric conversion element	20160520
US-2017338424-A1	Organic material and photoelectric conversion element	20160520
KR-20160149451-A	Production method of polythiophene improved mechanical property through regioregularity control	20150618
CN-107112587-A	Solid state secondary battery, solid electrolyte composition and battery electrode sheet and battery electrode sheet and the manufacture method of solid state secondary battery for the solid state secondary battery	20150212

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Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	334.1788933
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	334.1788933
Rotatable Bond Count:	11
Topological Polar Surface Area:	56.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.9