Allyl phenyl sulfide - CAS 5296-64-0

Catalog:	BB028006
Product Name:	Allyl phenyl sulfide
CAS:	5296-64-0
Synonyms:	prop-2-enylsulfanylbenzene

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Computed Properties

IUPAC Name:	prop-2-enylsulfanylbenzene
Description:	Allyl phenyl sulfide (CAS# 5296-64-0) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	150.24
Molecular Formula:	C9H10S
Canonical SMILES:	C=CCSC1=CC=CC=C1
InChI:	InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key:	QGNRLAFFKKBSIM-UHFFFAOYSA-N
Boiling Point:	223-225 °C (lit.)
Density:	1.024 g/cm³
MDL:	MFCD00014957
LogP:	2.96470

Publication Number	Title	Priority Date
WO-2021209698-A1	Two-component composition, and uses thereof	20200416
WO-2021209699-A1	Process for polymerizing at least one radically polymerizable compound	20200416
WO-2021091957-A1	Dihydroxylation of olefins using osmate (vi) salts	20191104
CN-112578634-A	Ultraviolet-curable resin composition, color filter, color resist, light-emitting device, and methods for producing these	20190927
JP-2021054918-A	UV curable resin composition, color resist, color filter, light emitting device and method for manufacturing color resist	20190927

PMID	Publication Date	Title	Journal
20863112	20101015	Regio- and enantioselective iridium-catalyzed allylation of thiophenol: synthesis of enantiopure allyl phenyl sulfides	Organic letters
19772307	20091015	Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent	Organic letters
19670833	20090904	Thiomaleic anhydride: a convenient building block for the synthesis of alpha-substituted gamma- and delta-lactones through free-radical addition, nucleophilic ring opening, and subsequent thiocarboxylate manipulation	The Journal of organic chemistry
16671788	20060511	2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement	Organic letters
11408364	20010701	Screening of organosulfur compounds as inhibitors of human CYP2A6	Drug metabolism and disposition: the biological fate of chemicals

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[2006276-82-8]
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[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

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GHS Hazard Statement:	H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	92.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.05032149
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.05032149
Rotatable Bond Count:	3
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5