Ethyl phenyl sulfide - CAS 622-38-8

Catalog:	BB031477
Product Name:	Ethyl phenyl sulfide
CAS:	622-38-8
Synonyms:	ethylsulfanylbenzene

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Computed Properties

IUPAC Name:	ethylsulfanylbenzene
Description:	Ethyl phenyl sulfide (CAS# 622-38-8) is a reactant used in the synthesis of polyoxometalates for layered double hydroxides. Also used in the preparation of immobilized manganese porphyrin on functionalizedmagnetic nanoparticles.
Molecular Weight:	138.23
Molecular Formula:	C8H10S
Canonical SMILES:	CCSC1=CC=CC=C1
InChI:	InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:	AEHWKBXBXYNPCX-UHFFFAOYSA-N
Boiling Point:	204-205 °C
Purity:	98 %
Density:	1.021 g/cm³
Appearance:	Clear colorless to light yellow liquid
MDL:	MFCD00009265
LogP:	2.79860

Publication Number	Title	Priority Date
WO-2021125243-A1	Resin moulded article	20191219
WO-2021117295-A1	Composition and polymer molded article	20191210
WO-2021106413-A1	Rubber-metal complex, tire, and rubber article	20191128
WO-2021075131-A1	Method for controlling hardness of molded body, and molded body	20191018
WO-2021075132-A1	Molded product and method for manufacturing molded product	20191018

PMID	Publication Date	Title	Journal
20606831	20100201	Analgesic and anti-inflammatory activity of amifostine, DRDE-07, and their analogs, in mice	Indian journal of pharmacology
20449150	20090921	Facile C-S, S-H, and S-S bond cleavage using a nickel(0) NHC complex	Dalton transactions (Cambridge, England : 2003)
15833346	20050501	Biphenyl derived oxovanadium(IV) and copper(II) salen-type complexes--structure and redox tuning	Journal of inorganic biochemistry
15278124	20040807	Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups--structure, characterization and hydrogen peroxide mediated sulfide oxygenation	Dalton transactions (Cambridge, England : 2003)
11399166	20010618	Mechanism of sulfide oxidations by peroxymonocarbonate	Inorganic chemistry

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1879-16-9]
4-Methoxythioanisole
[21124-33-4]
Ammonium diethyldithiocarbamate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	65
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.05032149
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.05032149
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2