2-Phenyl-1-(thiophen-2-yl)ethanone - CAS 13196-28-6

Catalog:	BB046212
Product Name:	2-Phenyl-1-(thiophen-2-yl)ethanone
CAS:	13196-28-6
Synonyms:	2-phenyl-1-(2-thienyl)ethanone; Ethanone, 2-phenyl-1-(2-thienyl)-; 2-phenyl-1-(2-thienyl)ethan-1-one

Technical Data

Computed Properties

IUPAC Name:	2-phenyl-1-thiophen-2-ylethanone
Description:	2-Phenyl-1-(thiophen-2-yl)ethanone (CAS# 13196-28-6 ) is a useful research chemical.
Molecular Weight:	202.27
Molecular Formula:	C12H10OS
Canonical SMILES:	C1=CC=C(C=C1)CC(=O)C2=CC=CS2
InChI:	InChI=1S/C12H10OS/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChI Key:	HXMVINSKZVYIDI-UHFFFAOYSA-N
Boiling Point:	346.3±17.0 °C at 760 mmHg
Melting Point:	44.5 °C
Density:	1.2±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Thiophenes

[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate

Complexity:	197
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:	3
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2