2-Benzoylthiophene - CAS 135-00-2

Catalog:	BB008051
Product Name:	2-Benzoylthiophene
CAS:	135-00-2
Synonyms:	phenyl(thiophen-2-yl)methanone

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	phenyl(thiophen-2-yl)methanone
Description:	2-Benzoylthiophene (CAS# 135-00-2) is a useful research chemical.
Molecular Weight:	188.25
Molecular Formula:	C11H8OS
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC=CS2
InChI:	InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
InChI Key:	DWYFUJJWTRPARQ-UHFFFAOYSA-N
Boiling Point:	300 °C (lit.)
Melting Point:	56-58 °C (lit.)
Purity:	95 %
Density:	1.198 g/cm³
Appearance:	Off-white to tan powder
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00022495
LogP:	2.97910

Publication Number	Title	Priority Date
CN-112442008-A	Method for preparing 1, 4-dithiine and thiophene compounds by regulating elemental sulfur and active internal alkyne at temperature and conversion reaction of compound	20200922
WO-2021061109-A1	Photodynamic method of inhibiting growth of a microbial plant pathogen	20190924
CN-110483223-A	The method that pyridine palladium efficient catalytic prepares diaryl ketone compound	20190911
WO-2021049489-A1	Compound, acid-generating agent, composition, cured product, pattern, and methods for producing cured product and pattern	20190910
WO-2020204733-A1	A solvent drying composition and processes therfor	20190403

PMID	Publication Date	Title	Journal
21586360	20110101	Allosteric modulation of purine and pyrimidine receptors	Advances in pharmacology (San Diego, Calif.)
20735030	20100916	Experimental and theoretical studies on the mechanism of photochemical hydrogen transfer from 2-aminobenzimidazole to nπ* and ππ* aromatic ketones	The journal of physical chemistry. B
20684598	20100812	Development and characterization of new inhibitors of the human and mouse hematopoietic prostaglandin D(2) synthases	Journal of medicinal chemistry
19939518	20100201	Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase	European journal of medicinal chemistry
16930047	20060901	Mechanism of triplet photosensitized Diels-Alder Reaction between indoles and cyclohexadienes: theoretical support for an adiabatic pathway	The Journal of organic chemistry

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.02958605
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.02958605
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9