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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
Assay:
≥99%

Key Documents

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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%

Quality Level

200

bp

188 °C (lit.)

mp

−15 °C (lit.)

density

1.057 g/mL at 20 °C (lit.)

functional group

thioether

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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

Storage Class

10 - Combustible liquids

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

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

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF7747V
SDBB3027
SDBB2361
SDBB1431
STBL3952

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Mild and selective oxidation of sulfur compounds in trifluoroethanol: diphenyl disulfide and methyl phenyl sulfoxide.
Ravikumar KS, et al.
Organic Syntheses, 184-189 (2003)
Methyl phenyl sulfoxide.
Johnson CR & Keiser JE.
Organic Syntheses, 78-78 (1966)
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
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
Rémy Ricoux et al.
Organic & biomolecular chemistry, 7(16), 3208-3211 (2009-07-31)
Two new artificial hemoproteins or "hemozymes", obtained by non covalent insertion of Fe(III)-meso-tetra-p-carboxy- and -p-sulfonato-phenylporphyrin into xylanase A from Streptomyces lividans, were characterized by UV-visible spectroscopy and molecular modeling studies, and were found to catalyze the chemo- and stereoselective oxidation
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