Methyl phenyl sulfoxide - CAS 1193-82-4

Catalog:	BB004489
Product Name:	Methyl phenyl sulfoxide
CAS:	1193-82-4
Synonyms:	methylsulfinylbenzene

Technical Data

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Computed Properties

IUPAC Name:	methylsulfinylbenzene
Description:	Methyl phenyl sulfoxide (CAS# 1193-82-4) is a useful research chemical.
Molecular Weight:	140.20
Molecular Formula:	C7H8OS
Canonical SMILES:	CS(=O)C1=CC=CC=C1
InChI:	InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:	JXTGICXCHWMCPM-UHFFFAOYSA-N
Boiling Point:	92-94 ℃ (0.3 torr)
Purity:	> 98.0 % (GC)
Appearance:	White to pale yellow solid
MDL:	MFCD00002088
LogP:	2.28970
Vapor Pressure:	0.02 [mmHg]

Publication Number	Title	Priority Date
CN-113477252-A	Preparation method and application of composite porous catalyst simultaneously containing titanium and other transition metals	20210630
CN-113429365-A	Method for synthesizing 1, 2-benzothiazine compound by rhodium (III) catalyzed C-H activation reaction	20210604
CN-113413917-A	Preparation and application of Tb-MOF nanosheet based on pyrenetetracarboxylic acid	20210602
CN-113304775-A	Surface chemical grafting graphene oxide supported molybdenum catalyst, preparation and application	20210508
CN-113058635-A	Monatomic catalyst for activating persulfate to generate pure singlet oxygen and preparation method and application thereof	20210406

PMID	Publication Date	Title	Journal
22541298	20120601	Amino alcohol-modified β-cyclodextrin inducing biomimetic asymmetric oxidation of thioanisole in water	Carbohydrate research
21959496	20111114	A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes	Dalton transactions (Cambridge, England : 2003)
21279232	20110328	The effect of solvent on the catalytic properties of microperoxidase-11	Physical chemistry chemical physics : PCCP
20810278	20110101	Resolution of racemic sulfoxides with high productivity and enantioselectivity by a Rhodococcus sp. strain as an alternative to biooxidation of prochiral sulfides for efficient production of enantiopure sulfoxides	Bioresource technology
21133375	20110101	Oxidation of sulfoxides and arsenic(III) in corrosion of nanoscale zero valent iron by oxygen: evidence against ferryl ions (Fe(IV)) as active intermediates in Fenton reaction	Environmental science & technology

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Related Functional Groups

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[42729-26-0]
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[1778-09-2]
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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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02958605
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6