2-Hexylthiophene - CAS 18794-77-9

Catalog:	BB014474
Product Name:	2-Hexylthiophene
CAS:	18794-77-9
Synonyms:	2-hexylthiophene

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Computed Properties

IUPAC Name:	2-hexylthiophene
Description:	2-Hexylthiophene (CAS# 18794-77-9) is a useful research chemical.
Molecular Weight:	168.30
Molecular Formula:	C10H16S
Canonical SMILES:	CCCCCCC1=CC=CS1
InChI:	InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
InChI Key:	QZVHYFUVMQIGGM-UHFFFAOYSA-N
Boiling Point:	228 °C
Melting Point:	41.00 °C at 760.00 mm Hg
Purity:	98 %
Density:	0.935 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00022535
LogP:	3.87090

Publication Number	Title	Priority Date
CN-113499485-A	Lubricating coating for surface of medical instrument and preparation method thereof	20210708
CN-112142758-A	Organic small molecule hole transport material based on benzodithiophene and preparation method and application thereof	20201016
CN-112250677-A	Organic small molecule hole transport material based on spiro [ fluorene-9, 9' -xanthene ], preparation method and application thereof	20201016
US-11033516-B1	Combination therapies with disulfiram	20200918
US-11065214-B1	Combination therapies with disulfiram	20200918

PMID	Publication Date	Title	Journal
21827161	20110902	Near-infrared absorbing boron-dibenzopyrromethenes that serve as light-harvesting sensitizers for polymeric solar cells	Organic letters
22110870	20110101	Nanoscale structure, dynamics and power conversion efficiency correlations in small molecule and oligomer-based photovoltaic devices	Nano reviews
19260697	20090403	Efficient synthesis of carbazolyl- and thienyl-substituted beta-diketonates and properties of their red- and green-light-emitting Ir(III) complexes	The Journal of organic chemistry
15755182	20050316	2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as new high-performance semiconductors for organic field-effect transistors	Journal of the American Chemical Society

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Related Functional Groups

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GHS Hazard Statement:	H302 (93.84%): 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:	90.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.09727168
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.09727168
Rotatable Bond Count:	5
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4