3,2':5',3″-Terthiophene - CAS 81294-16-8

Catalog:	BB036642
Product Name:	3,2':5',3″-Terthiophene
CAS:	81294-16-8
Synonyms:	2,5-di(thiophen-3-yl)thiophene

Technical Data

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Computed Properties

IUPAC Name:	2,5-di(thiophen-3-yl)thiophene
Description:	3,2':5',3″-Terthiophene (CAS# 81294-16-8 ) is a useful research chemical.
Molecular Weight:	248.39
Molecular Formula:	C12H8S3
Canonical SMILES:	C1=CSC=C1C2=CC=C(S2)C3=CSC=C3
InChI:	InChI=1S/C12H8S3/c1-2-12(10-4-6-14-8-10)15-11(1)9-3-5-13-7-9/h1-8H
InChI Key:	OQKJYJOKTGKIRJ-UHFFFAOYSA-N
Boiling Point:	315.6 °C at 760 mmHg
Density:	1.318 g/cm³
LogP:	5.20510

Publication Number	Title	Priority Date
US-2020388881-A1	Silicon-based energy storage devices with functional thiophene compounds or derivatives of thiophene containing electrolyte additives	20190605
US-2020388836-A1	Silicon-based energy storage devices with functional terthiophene compound or thiophene oligomer compound containing electrolyte additives	20190605
EP-2482856-A2	Micellar compositions for use in biological applications	20090929
EP-2482856-B1	Micellar compositions for use in biological applications	20090929
US-2012269736-A1	Micellar compositions for use in biological applications	20090929

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.97881378
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.97881378
Rotatable Bond Count:	2
Topological Polar Surface Area:	84.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3