2-Phenylthiophene - CAS 825-55-8

Catalog:	BB036855
Product Name:	2-Phenylthiophene
CAS:	825-55-8
Synonyms:	2-phenylthiophene

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Computed Properties

IUPAC Name:	2-phenylthiophene
Description:	2-Phenylthiophene (CAS# 825-55-8) is a useful research chemical.
Molecular Weight:	160.24
Molecular Formula:	C10H8S
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=CS2
InChI:	InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H
InChI Key:	PJRGDKFLFAYRBV-UHFFFAOYSA-N
Boiling Point:	254.6 °C / 760 mmHg
Density:	1.111 g/cm³
Appearance:	White to yellow powder or crystals
Storage:	Keep in dark place. Inert atmosphere. Keep cold.
MDL:	MFCD00130080
LogP:	3.41510

Publication Number	Title	Priority Date
CN-112710838-A	Application of quinolinecarbonitrile derivative in protein detection by protein imprinting method and preparation method thereof	20201126
CN-112415799-A	Array substrate and preparation method thereof	20201110
CN-111920963-A	Near-infrared two-region absorption nano particle with cysteine response and preparation method and application thereof	20200908
WO-2021186185-A1	Novel compounds useful in the treatment and/or prevention of a disease, disorder or condition associated with angiotensin ii	20200319
WO-2021167008-A1	Method for producing aromatic astatine compound	20200221

PMID	Publication Date	Title	Journal
33594371	20210215	Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures	bioRxiv : the preprint server for biology
22334438	20120601	Mechanistic studies on the Pd-catalyzed direct C-H arylation of 2-substituted thiophene derivatives with arylpalladium bipyridyl complexes	Chemistry, an Asian journal
22231712	20120514	Excited-state dynamics and efficient triplet formation in phenylthiophene compounds	Physical chemistry chemical physics : PCCP
21815271	20111104	Preparation and acid-responsive photophysical properties of T-shaped π-conjugated molecules containing a benzimidazole junction	Chemistry, an Asian journal
19408279	20100115	A computational study of photochemical isomerization reactions of thiophenes	Journal of computational chemistry

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Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.03467143
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.03467143
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7