N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide | CAS No. 794582-15-3

N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide

Basic Information

CAS Number

794582-15-3

Molecular Formula

C13H12N2OS

Molecular Weight

244.32 g/mol

AD

Basic Physical Properties

Boiling Point

318℃

Density

1.25

Flash Point

146℃

CSC1=CC=CC=C1NC(=O)C2=CC=CC=N2

InChI

InChI=1S/C13H12N2OS/c1-17-12-8-3-2-6-10(12)15-13(16)11-7-4-5-9-14-11/h2-9H,1H3,(H,15,16)

InChIKey

UCNWRYKLGQCBPK-UHFFFAOYSA-N

LogP

3.0558000000000005

Topological Polar Surface Area

41.99 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

260

Synonyms & References

English

  • N-[2-(METHYLTHIO)PHENYL]-2-PYRIDINECARBOXAMIDE
  • CCG-200529
  • DTXSID501330138
  • N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
  • AKOS002125989
  • CHEMBL1463988
  • SMR000376339
  • FT-0721693
  • HMS2670D10
  • 2-Pyridinecarboxamide, N-[2-(methylthio)phenyl]-
  • L10161
  • MLS000807168
  • SCHEMBL22209133
  • 794582-15-3
  • Z26434962
  • N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide
  • 1,3,5-Triazine-2,4,6-triamine, N-methyl-N'-phenyl-
  • CTK2D0317
  • N2-Methyl-N4-phenyl-[1,3,5]triazin-2,4,6-triyltriamin
  • N2-methyl-N4-phenyl-[1,3,5]triazine-2,4,6-triyltriamine
  • N-2-methylthiophenyl-2'-pyridinecarboxamide

MDL Number

MFCD06368046

FAQ

What are the physical and chemical properties of N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide (CAS: 794582-15-3)?

N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide (CAS: 794582-15-3) is a crystalline compound with a molecular weight of approximately 265.34 g/mol. It has a melting point of around 120°C and is poorly soluble in water but soluble in organic solvents such as methanol and acetonitrile. This compound is known for its low reactivity under normal conditions, with limited known reactions involving amide groups and phenyl rings.

How is N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide (CAS: 794582-15-3) typically synthesized?

N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide (CAS: 794582-15-3) can be synthesized via a multi-step process starting from 2-pyridinecarboxylic acid and 2-(methylthio)benzaldehyde. The synthesis involves condensation followed by amidation, often using catalytic amounts of acid and a suitable solvent. The yield and selectivity of the reaction can be improved by using appropriate catalysts and optimizing reaction conditions.

What industries use N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide (CAS: 794582-15-3)?

N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide (CAS: 794582-15-3) is primarily used in the pharmaceutical industry due to its potential as a drug candidate. It may also have applications in the polymer industry for modifying polymer properties and in the sensor industry for developing chemical sensors. Its use in semiconductors is less common but may be explored for specific applications requiring unique chemical functionalities.

What precautions should be taken when handling N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide (CAS: 794582-15-3)?

When handling N-[2-(Methylsulfanyl)phenyl]-2-pyridinecarboxamide (CAS: 794582-15-3), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the compound. Spills should be cleaned up with caution, and proper disposal procedures should be followed as outlined in the safety data sheet (SDS). Always consult the SDS for detailed information on safe handling practices.

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