2-Iodo-5-phenylthiophene - CAS 13781-37-8

Catalog:	BB008648
Product Name:	2-Iodo-5-phenylthiophene
CAS:	13781-37-8
Synonyms:	2-iodo-5-phenylthiophene; 2-iodo-5-phenylthiophene

Technical Data

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Computed Properties

IUPAC Name:	2-iodo-5-phenylthiophene
Description:	2-Iodo-5-phenylthiophene (CAS# 13781-37-8) is a useful research chemical.
Molecular Weight:	286.13
Molecular Formula:	C10H7IS
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(S2)I
InChI:	InChI=1S/C10H7IS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H
InChI Key:	DHRIQSGKMRCNIU-UHFFFAOYSA-N
Boiling Point:	329.1±30.0 °C / 760 mmHg
Melting Point:	84 °C
Purity:	> 97.0 % (GC)
Appearance:	White to orange to green powder to crystal
Storage:	Keep in dark place. Inert atmosphere. Keep cold.
MDL:	MFCD13180547
LogP:	4.01970

Publication Number	Title	Priority Date
WO-2017147159-A1	Deuterated bile acid derivatives as fxr/tgr5 agonists and methods of use thereof	20160223
WO-2016086218-A1	Bile acid derivatives as fxr/tgr5 agonists and methods of use thereof	20141126
KR-20130069431-A	Novel compound for organic electroluminescent device and organic electroluminescent device comprising the same	20111216
JP-2010024191-A	(Thiophene / phenylene) co-oligomer, method for producing the same, and organic semiconductor material and light-emitting material containing the same	20080722
JP-2009114074-A	(Thiophene / phenylene) co-oligomer	20071101

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Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.93132
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	285.93132
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9