3-Octylthiophene - CAS 65016-62-8

Catalog:	BB032615
Product Name:	3-Octylthiophene
CAS:	65016-62-8
Synonyms:	3-octylthiophene

Technical Data

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Computed Properties

IUPAC Name:	3-octylthiophene
Description:	3-Octylthiophene (CAS# 65016-62-8) is a useful research chemical.
Molecular Weight:	196.35
Molecular Formula:	C12H20S
Canonical SMILES:	CCCCCCCCC1=CSC=C1
InChI:	InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
InChI Key:	WQYWXQCOYRZFAV-UHFFFAOYSA-N
Boiling Point:	106-107 °C / 3 mmHg (lit.)
Density:	0.92 g/mL at 25 °C(lit.)
MDL:	MFCD00085281
LogP:	1.89000

Publication Number	Title	Priority Date
CN-113429605-A	Polymer semiconductor film, preparation method thereof and gas sensor	20210628
CN-113189177-A	Method for improving stability of all-solid-state ion selective electrode and application	20210413
CN-112382746-A	Preparation method of lithium ion battery anode material with heat closing and self-healing functions	20210115
CN-112382746-B	Preparation method of lithium ion battery anode material with heat closing and self-healing functions	20210115
CN-112820546-A	Capacitor, multilayer capacitor, and method for manufacturing multilayer capacitor	20201231

PMID	Publication Date	Title	Journal
22629979	20120201	Structures and properties of poly(3-alkylthiophene) thin-films fabricated though vapor-phase polymerization	Journal of nanoscience and nanotechnology
21996551	20111102	Electrical conduction of organic ultrathin films evaluated by an independently driven double-tip scanning tunneling microscope	Journal of physics. Condensed matter : an Institute of Physics journal
21545175	20110615	Hyphenated FT-IR-attenuated total reflection and electrochemical impedance spectroscopy technique to study the water uptake and potential stability of polymeric solid-contact ion-selective electrodes	Analytical chemistry
20803603	20101208	Effect of poly(3-octylthiophene) doping on the attachment and proliferation of osteoblasts	Macromolecular bioscience
20608674	20100728	Highly tunable photoluminescent properties of amphiphilic conjugated block copolymers	Journal of the American Chemical Society

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Related Functional Groups

Thiophenes

[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[13669-10-8]
Ethyl (2-thenoyl)acetate
[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

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.12857181
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.12857181
Rotatable Bond Count:	7
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.1