3,4-(2',2'-Diethylpropylene)dioxythiophene - CAS 259139-19-0

Catalog:	BB019068
Product Name:	3,4-(2',2'-Diethylpropylene)dioxythiophene
CAS:	259139-19-0
Synonyms:	3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

Technical Data

Patents

Computed Properties

IUPAC Name:	3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
Description:	3,4-(2',2'-Diethylpropylene)dioxythiophene (CAS# 259139-19-0 ) is a useful research chemical.
Molecular Weight:	212.31
Molecular Formula:	C11H16O2S
Canonical SMILES:	CCC1(COC2=CSC=C2OC1)CC
InChI:	InChI=1S/C11H16O2S/c1-3-11(4-2)7-12-9-5-14-6-10(9)13-8-11/h5-6H,3-4,7-8H2,1-2H3
InChI Key:	HMKHKPKUPVRLOW-UHFFFAOYSA-N
Boiling Point:	276.101 °C at 760 mmHg
Purity:	97 %
Density:	1.109 g/mL at 25 °C
MDL:	MFCD08705267
LogP:	3.32570
Refractive Index:	1.534

Publication Number	Title	Priority Date
CN-111240118-A	Novel electrochromic device with three-electrode structure and preparation method thereof	20190830
US-2020190254-A1	Solution-processable indenofluorenes and methods to generate solution-processable indenofluorenes	20181214
US-2021115187-A1	Solution-processable indenofluorenes and methods to generate solution-processable indenofluorenes	20181214
TW-201943758-A	Preparation method and application of thiophene polymer imprinted electrode film	20180418
TW-I668245-B	Preparation method and use of rubbed electrode film of thiophene polymer	20180418

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Related Functional Groups

Thiophenes

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[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[350989-99-0]
Ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.08710092
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.08710092
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2