1-(5-Phenyl-2-thienyl)ethanone - CAS 1665-41-4

Catalog:	BB012293
Product Name:	1-(5-Phenyl-2-thienyl)ethanone
CAS:	1665-41-4
Synonyms:	1-(5-phenyl-2-thiophenyl)ethanone; 1-(5-phenylthiophen-2-yl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(5-phenylthiophen-2-yl)ethanone
Description:	1-(5-Phenyl-2-thienyl)ethanone (CAS# 1665-41-4) is a useful research chemical.
Molecular Weight:	202.27
Molecular Formula:	C12H10OS
Canonical SMILES:	CC(=O)C1=CC=C(S1)C2=CC=CC=C2
InChI:	InChI=1S/C12H10OS/c1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:	SPXBZAHGTSZQLL-UHFFFAOYSA-N
Boiling Point:	363.8 °C at 760 mmHg
Density:	1.151 g/cm³
MDL:	MFCD00159557
LogP:	3.61770

Publication Number	Title	Priority Date
WO-2020180770-A1	Bicyclic heterocyclyl compounds and uses thereof	20190301
US-10011573-B2	Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use	20140214
US-2017183319-A1	Human androgen receptor dna-binding doman (dbd) compounds as therapeutics and methods for their use	20140214
WO-2015120543-A1	Human androgen receptor dna-binding domain (dbd) compounds as therapeutics and methods for their use	20140214
CN-104177440-A	Iridium complex and organic light emitting diode using the same	20130521

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.04523611
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.04523611
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3