2-(Methylsulfanyl)aniline

Basic Information

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CAS Number

2987-53-3

Molecular Formula

C7H9NS

Molecular Weight

139.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

242°C

Water Solubility

Soluble in water (less).

Refractive Index

n20/D 1.624(lit.)

SMILES

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CSC1=CC=CC=C1N

InChI

InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

InChIKey

WBRPQQSADOCKCH-UHFFFAOYSA-N

LogP

1.9907

pKa

3.45(at 25℃)

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

sensitive to air

Synonyms & References

English

AKOS000120410
EN300-20443
F0787-0008
A820089
Benzenamine, 2-(methylthio)-
2-amino thioanisole
NSC62853
W-106969
?2-Amino thioanisole
NSC41588
(2-methylsulfanyl-phenyl)-amine
NSC 62853
SCHEMBL111389
2-(Methylthio)aniline
FA2L2YY5KZ
NS00028796
DTXSID80183986
NSC-9425
2-(Methylthio)aniline, 97%
2-(Methylmercapto)aniline
2-(Methylsulfanyl)aniline
FT-0608855
Z104478220
CHEBI:194955
2-Aminothioanisole
2-methylsulfanylaniline
2-Methylsulfanyl-phenylamine
2-methylsulanylaniline
AMY25631
2-Methylmercaptoaniline
2-methylthioaniline

MDL Number

MFCD00007708

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 2-(Methylsulfanyl)aniline (CAS: 2987-53-3)?

2-(Methylsulfanyl)aniline (CAS: 2987-53-3) is a colorless to light yellow crystalline solid with a molecular weight of approximately 142.19 g/mol. It has a pKa of around 5.7 and is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It reacts readily with bases to form the corresponding anilide salt and can also undergo electrophilic aromatic substitution reactions.

How is 2-(Methylsulfanyl)aniline (CAS: 2987-53-3) typically synthesized?

2-(Methylsulfanyl)aniline (CAS: 2987-53-3) is typically synthesized by the reaction of aniline with methyl mercaptan in the presence of a catalyst such as benzene or toluene. The reaction is performed under mild conditions, and the product is isolated by recrystallization from appropriate solvents. The yield is generally high, and the product can be purified by recrystallization.

What industries use 2-(Methylsulfanyl)aniline (CAS: 2987-53-3)?

2-(Methylsulfanyl)aniline (CAS: 2987-53-3) finds applications in various industries. It is used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. In the polymer industry, it serves as a stabilizer in plastic formulations. It is also used in the production of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling 2-(Methylsulfanyl)aniline (CAS: 2987-53-3)?

When handling 2-(Methylsulfanyl)aniline (CAS: 2987-53-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation. Spills should be cleaned up immediately using absorbent materials, and the area should be thoroughly washed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.