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Key Documents

T28002

Sigma-Aldrich

Thioanisole

ReagentPlus®, ≥99%

Synonym(s):

Methyl phenyl sulfide

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About This Item

Linear Formula:
C6H5SCH3
CAS Number:
Molecular Weight:
124.20
Beilstein:
1904179
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.21

Quality Level

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.)

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.

Legal Information

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

Pictograms

Exclamation markEnvironment

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

163.4 °F - closed cup

Flash Point(C)

73 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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
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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