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Merck
CN

T28002

Thioanisole

ReagentPlus®, ≥99%

Synonym(s):

Methyl phenyl sulfide

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About This Item

Linear Formula:
C6H5SCH3
CAS Number:
100-68-5
Molecular Weight:
124.20
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
57654663
EC Number:
202-878-2
Beilstein/REAXYS Number:
1904179
MDL number:
MFCD00008559

Key Documents

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Product Name

Thioanisole, ReagentPlus®, ≥99%

InChI key

HNKJADCVZUBCPG-UHFFFAOYSA-N

InChI

1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

SMILES string

CSc1ccccc1

product line

ReagentPlus®

assay

≥99%

refractive index

n20/D 1.587 (lit.)

bp

188 °C (lit.)

mp

−15 °C (lit.)

density

1.057 g/mL at 20 °C (lit.)

functional group

thioether

Quality Level

200

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Application

Thioanisole may be used in the synthesis of methyl phenyl sulfoxide via oxidation.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF7747V
SDBB3027
SDBB2361
SDBB1431
STBL3952

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Methyl phenyl sulfoxide.
Johnson CR & Keiser JE.
Organic Syntheses, 78-78 (1966)
Mild and selective oxidation of sulfur compounds in trifluoroethanol: diphenyl disulfide and methyl phenyl sulfoxide.
Ravikumar KS, et al.
Organic Syntheses, 184-189 (2003)
Viktor Mojr et al.
Chemical communications (Cambridge, England), 46(40), 7599-7601 (2010-09-14)
β-Cyclodextrin-flavin conjugates are highly efficient catalysts for the sulfoxidation of methyl phenyl sulfides with hydrogen peroxide in neat aqueous media operating at loadings down to 0.2 mol% and allowing for enantioselectivities up to 80% ee.
Jun-Long Zhang et al.
Chemical communications (Cambridge, England), (14)(14), 1665-1667 (2008-03-28)
We demonstrate that incorporation of MnSalen into a protein scaffold enhances the chemoselectivity in sulfoxidation of thioanisole and find that both the polarity and hydrogen bonding of the protein scaffold play an important role in tuning the chemoselectivity.
Wen Wang et al.
Journal of the American Chemical Society, 131(36), 12892-12893 (2009-08-26)
Magnetic nanoparticles (MNPs) with a core diameter of 30 nm comprising several iron oxide crystals, a poly(glycidyl methacrylate) (PGMA) shell with a thickness of 30 nm, and a surface coated with chloroperoxidase (CPO) were facilely fabricated as a nanobiocatalyst for
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