3,3'-Bithiophene - CAS 3172-56-3

Catalog:	BB021037
Product Name:	3,3'-Bithiophene
CAS:	3172-56-3
Synonyms:	3-(3-thiophenyl)thiophene; 3-thiophen-3-ylthiophene

Technical Data

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Computed Properties

IUPAC Name:	3-thiophen-3-ylthiophene
Description:	3,3'-Bithiophene (CAS# 3172-56-3) is a useful research chemical.
Molecular Weight:	166.26
Molecular Formula:	C8H6S2
Canonical SMILES:	C1=CSC=C1C2=CSC=C2
InChI:	InChI=1S/C8H6S2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H
InChI Key:	IAAQEGBHNXAHBF-UHFFFAOYSA-N
Boiling Point:	197.6 °C at 760 mmHg
Density:	1.243 g/cm³
Appearance:	Yellow to deep yellow red crystals or powder
MDL:	MFCD00041214
LogP:	3.47660

Publication Number	Title	Priority Date
CN-113045590-A	Perylene diimide non-fullerene acceptor material and application thereof	20210401
CN-113189175-A	Preparation method of molecular imprinting sensor, product obtained by preparation method and application of molecular imprinting sensor	20210322
CN-111793057-A	Synthesis and application of 2-benzyl methylene amide-3, 3' -bithiophene derivative	20200722
CN-111675215-A	Sulfur-carrying activated carbon material and preparation method and application thereof	20200628
KR-102303750-B1	Thiazole derivative, manufacturing method for same, thiazole polymer and manufacturing method for same	20200226

PMID	Publication Date	Title	Journal
21580726	20100324	3,3'-Bithio-phene	Acta crystallographica. Section E, Structure reports online
19772333	20091015	Thermochemistry of bithiophenes and thienyl radicals. A calorimetric and computational study	The journal of physical chemistry. A
16521155	20060410	Thiophene-thiophene versus phenyl-phenyl coupling in 2-(Diphenylamino)-Thiophenes: an ESR-UV/Vis/NIR spectroelectrochemical study	Chemphyschem : a European journal of chemical physics and physical chemistry
16149775	20050916	Steric and electronic tuning of chiral bis(oxazoline) ligands with 3,3'-bithiophene backbone	The Journal of organic chemistry
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.99109254
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.99109254
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9