Methyl p-tolyl sulfoxide - CAS 934-72-5

Catalog:	BB040936
Product Name:	Methyl p-tolyl sulfoxide
CAS:	934-72-5
Synonyms:	1-methyl-4-methylsulfinylbenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-methyl-4-methylsulfinylbenzene
Description:	Methyl p-tolyl sulfoxide (CAS# 934-72-5) is a useful research chemical.
Molecular Weight:	154.23
Molecular Formula:	C8H10OS
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)C
InChI:	InChI=1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3
InChI Key:	FEVALTJSQBFLEU-UHFFFAOYSA-N
Boiling Point:	113-114 °C / 2 mmHg (lit.)
Density:	1.15 g/cm³
Appearance:	White to yellow solid, powder or crystals and/or chunks
MDL:	MFCD00075175
LogP:	2.59810

Publication Number	Title	Priority Date
WO-2021039800-A1	Method for preparing enantiomer of sulfoxide compound, and system for preparing enantiomer	20190829
WO-2021008607-A1	Substituted 1,2,4-triazolo[4,3-a]pyridine derivative and preparation method, herbicidal composition and application thereof	20190718
CN-111825708-A	Sulfoxide group-containing ortho-amino alcohol compound and preparation method thereof	20190418
US-2020206320-A1	Oral Care Compositions	20181227
US-10973885-B2	Oral care compositions	20181227

PMID	Publication Date	Title	Journal
22714171	20120521	Precise and rapid detection of optical activity for accumulative femtosecond spectroscopy	Optics express
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
20572186	20100802	Imination of sulfides and sulfoxides with sulfonylimino-lambda3-bromane under mild, metal-free conditions	Chemistry (Weinheim an der Bergstrasse, Germany)
20429549	20100601	Role of ligands in permanganate oxidation of organics	Environmental science & technology
20025264	20100205	An efficient stereoselective synthesis of penaresidin a from (e)-2-protected amino-3,4-unsaturated sulfoxide	The Journal of organic chemistry

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[85-47-2]
1-Naphthalenesulfonic acid
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[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:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04523611
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.04523611
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4