(Methylsulfanyl)benzene

Basic Information

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CAS Number

100-68-5

Molecular Formula

C7H8S

Molecular Weight

124.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

−15 °C

Boiling Point

188 °C

Solubility

<1mg/l

Refractive Index

n20/D 1.586-1.588<br />n20/D 1.587(lit.)

SMILES

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CSc1ccccc1

InChI

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

InChIKey

HNKJADCVZUBCPG-UHFFFAOYSA-N

LogP

2.4085

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

55.4

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Sensitiveness

Stench

Synonyms & References

English

Thioanisole
Methyl phenyl sulfide
MPS
Methylphenylsulfid
Methyl phenyl sulphide
Methylphenylsulfideneat
Thioanisol
methylsulfanylbenzene
Methylthiobenzene
PHSME
FEMA 3873
Anisole, thio-
Phenylthiomethane
THIOMETHYLBENZENE
Thioanisole99%
Methyl Phenyl Sulfide
THIOANISOL
THIOANISOLE
METHYLTHIOBENZENE

MDL Number

MFCD00008559

Customs Code

29309070

FAQ

What are the physical and chemical properties of (Methylsulfanyl)benzene (CAS: 100-68-5)?

(Methylsulfanyl)benzene is a colorless liquid with a molecular weight of approximately 120.17 g/mol. It has a slight sulfurous odor and is moderately soluble in water. Its physical properties include a melting point of -42°C and a boiling point of 154°C. Chemically, it reacts readily with strong oxidizing agents and shows some reactivity towards electrophilic aromatic substitution. It is used in organic synthesis and as a precursor in various industrial applications.

How is (Methylsulfanyl)benzene (CAS: 100-68-5) typically synthesized?

(Methylsulfanyl)benzene can be synthesized via the reaction of phenol with methyl mercaptan in the presence of a base such as sodium hydride. The reaction is carried out in a solvent like dimethylformamide (DMF). The yield can be up to 85%, and the selectivity is good for this substitution reaction. This method is commonly used in laboratory settings and industrial synthesis.

What industries use (Methylsulfanyl)benzene (CAS: 100-68-5)?

(Methylsulfanyl)benzene is used in various industries due to its chemical properties. It is utilized in the pharmaceutical industry for the synthesis of drugs, in the polymer industry as a monomer for certain resins, and in the chemical sensing industry for the production of gas sensors. Additionally, it is employed in the semiconductor industry as a component in various processing solutions.

What precautions should be taken when handling (Methylsulfanyl)benzene (CAS: 100-68-5)?

When handling (Methylsulfanyl)benzene (CAS: 100-68-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled by professionals or according to the Material Safety Data Sheet (MSDS) guidelines. It is crucial to have a safety data sheet readily available and follow all safety protocols to ensure a safe working environment.