Phenyl vinyl sulfoxide - CAS 20451-53-0

Catalog:	BB015983
Product Name:	Phenyl vinyl sulfoxide
CAS:	20451-53-0
Synonyms:	ethenylsulfinylbenzene

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Computed Properties

IUPAC Name:	ethenylsulfinylbenzene
Description:	Phenyl vinyl sulfoxide (CAS# 20451-53-0) is a useful research chemical.
Molecular Weight:	152.21
Molecular Formula:	C8H8OS
Canonical SMILES:	C=CS(=O)C1=CC=CC=C1
InChI:	InChI=1S/C8H8OS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H,1H2
InChI Key:	MZMJHXFYLRTLQX-UHFFFAOYSA-N
Boiling Point:	317.1 ℃ at 760 mmHg
Density:	1.18 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00002086
LogP:	2.80340

Publication Number	Title	Priority Date
CN-112210777-A	Supermolecular compound additive based on hydroxypropyl-beta-cyclodextrin phosphate and application method thereof	20201013
WO-2021195626-A1	The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks	20200327
CN-110943253-A	High-voltage lithium ion battery combined electrolyte additive, electrolyte and battery thereof	20191024
KR-102252051-B1	Oxidation Responsive Monoolein Cubic Phase	20191008
KR-20210042226-A	Oxidation Responsive Monoolein Cubic Phase	20191008

PMID	Publication Date	Title	Journal
15307741	20040820	Probing the formation of bicyclo[4.2.0]octan-1-ols	The Journal of organic chemistry
14725459	20040123	Diels-Alder reactions of 4-triflyloxy-2,6,6-trimethyl-2,4-cyclohexadienone. An expedient methodology for the synthesis of bicyclo[2.2.2]oct-5-en-2-ones and bicyclo[2.2.2]octa-5,7-dien-2-ones	The Journal of organic chemistry
12929665	20030421	The formation of bicyclo[n.2.0]alkan-1-ols from the reaction of the lithium enolates of simple ketones and phenyl vinyl sulfoxide	Organic & biomolecular chemistry
12639572	20030224	Lead discovery of alpha,beta-unsaturated sulfones from a combinatorial library as inhibitors of inducible VCAM-1 expression	Bioorganic & medicinal chemistry letters

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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.02958605
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.02958605
Rotatable Bond Count:	2
Topological Polar Surface Area:	36.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1