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T28002

Sigma-Aldrich

Thioanisole

ReagentPlus®, ≥99%

Synonym(s):

Methyl phenyl sulfide

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25 G
$40.90
100 G
$67.60
500 G
$232.00

About This Item

Linear Formula:
C6H5SCH3
CAS Number:
100-68-5
Molecular Weight:
124.20
Beilstein/REAXYS Number:
1904179
EC Number:
202-878-2
MDL number:
MFCD00008559
UNSPSC Code:
12352100
PubChem Substance ID:
57654663
NACRES:
NA.21
assay:
≥99%

$40.90

In StockDetails

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Quality Level

200

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

SMILES string

CSc1ccccc1

InChI

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

InChI key

HNKJADCVZUBCPG-UHFFFAOYSA-N

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Application

Thioanisole may be used in the synthesis of methyl phenyl sulfoxide via oxidation.[1][2]

Legal Information

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

pictograms

Exclamation markEnvironment
GHS07,GHS09

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Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk_germany

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
SDBB1431
STBL3952
STBJ6225
STBH5431
STBG8672

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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)
Jeong Sik Lim et al.
Nature chemistry, 2(8), 627-632 (2010-07-24)
Chemical reactions that occur in the ground electronic state are described well by invoking the Born-Oppenheimer approximation, which allows their development to be rationalized by nuclear rearrangements that smoothly traverse an adiabatic potential energy surface. The situation is different, however
Chun Zhu et al.
Physical chemistry chemical physics : PCCP, 14(37), 12800-12806 (2012-08-10)
The electronic and structural features of (oxo)manganese(V) corroles and their catalyzed oxygen atom transfers to thioanisole in different spin states have been investigated by the B3LYP functional calculations. Calculations show that these corrole-based oxidants and their complexes with thioanisole generally
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.
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