6-Methyl-2(1H)-pyridinethione

Basic Information

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CAS Number

18368-57-5

Molecular Formula

C6H7NS

Molecular Weight

125.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

150-155 °C

Boiling Point

197.4°C at 760 mmHg

Density

1.15

Flash Point

73.2°C

Refractive Index

1.619

SMILES

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CC1=CC=CC(=S)N1

InChI

InChI=1S/C6H7NS/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)

InChIKey

IGZZHADAOWGUEI-UHFFFAOYSA-N

LogP

1.6787199999999998

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

167

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Sensitiveness

Susceptible to air oxidation

Synonyms & References

English

A921523
2-methyl-6-mercaptopyridine
6-Methyl-2(1H)-pyridinethione
2-MERCAPTO-6-METHYLPYRIDINE 97
AB25230
SY073782
SCHEMBL1200314
AKOS010097091
SCHEMBL9976678
6-METHYLPYRIDINE-2-THIOL
2-Mercapto-6-methylpyridine
6-Methyl-2-mercaptopyridine
6-Methyl-2-pyridthione
18368-57-5
6-Methyl-2(1H)-pyridinethione #
2-Mercapto-6-methylpyridine, 97%
InChI=1/C6H7NS/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8
CS-0152812
6-Methyl-2-pyridinethiol
6-Methyl-2-pyridinethione
FT-0692910
6-Methylpyridine-2(1H)-thione
DTXSID80415830
6-methyl-1H-pyridine-2-thione
EN300-66214
2(1H)-Pyridinethione, 6-methyl-
J-011772
DS-13238
MFCD06411332
M3362
C73538

MDL Number

MFCD06411332

FAQ

What are the physical and chemical properties of 6-Methyl-2(1H)-pyridinethione (CAS: 18368-57-5)?

6-Methyl-2(1H)-pyridinethione (CAS: 18368-57-5) is a crystalline solid with a molecular weight of approximately 134.14 g/mol. It has a low water solubility and is relatively stable in air. It is reactive towards bases and can undergo substitution reactions. The compound is often used in organic synthesis and has unique spectroscopic properties that make it useful in analytical chemistry.

How is 6-Methyl-2(1H)-pyridinethione (CAS: 18368-57-5) typically synthesized?

6-Methyl-2(1H)-pyridinethione is typically synthesized via the reaction of methyl isocyanide with 2-pyridine thione under mild conditions. The reaction can be catalyzed by a mild base, and the method usually provides good yield and selectivity. Other synthesis routes may involve the use of different starting materials and reagents, but the process generally aims to produce this compound with high purity.

What industries use 6-Methyl-2(1H)-pyridinethione (CAS: 18368-57-5)?

6-Methyl-2(1H)-pyridinethione (CAS: 18368-57-5) is used in the pharmaceutical industry for its potential as a starting material in drug synthesis. It is also used in the chemical industry for its reactivity, particularly in organic synthesis and as a functional group in polymer chemistry. Additionally, its unique properties make it suitable for use in sensors and as an analytical reagent.

What precautions should be taken when handling 6-Methyl-2(1H)-pyridinethione (CAS: 18368-57-5)?

When handling 6-Methyl-2(1H)-pyridinethione (CAS: 18368-57-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. The compound should be stored in a cool, dry place away from direct sunlight. Fume hoods should be used during synthesis or handling to minimize exposure. In case of spill, avoid contact with water and use appropriate spill cleanup materials. Always consult the Material Safety Data Sheet (MSDS) for specific safety guidelines.