All Photos(2)
Synonym(s):
Methyl phenyl sulfide
Linear Formula:
C6H5SCH3
CAS Number:
Molecular Weight:
124.20
Beilstein:
1904179
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.21
Recommended Products
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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Related Categories
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B
WGK
WGK 3
Flash Point(F)
163.4 °F
Flash Point(C)
73 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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)
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
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.
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
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