structure of Thiophene-2-carbonitrile

Thiophene-2-carbonitrile

CAS No.: 1003-31-2
M. Wt: 109.149
M. Fa: C5H3NS
InChI Key: CUPOOAWTRIURFT-UHFFFAOYSA-N
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Names and Identifiers of Thiophene-2-carbonitrile

CAS Number

1003-31-2

EC Number

213-706-0

MDL Number

MFCD00005416

IUPAC Name

thiophene-2-carbonitrile

InChI

InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H

InChIKey

CUPOOAWTRIURFT-UHFFFAOYSA-N

Canonical SMILES

C1=CSC(=C1)C#N

UNSPSC Code

12352100

Physical and chemical properties of Thiophene-2-carbonitrile

Boiling Point

193.0±13.0 °C at 760 mmHg

BRN

107035

Density

1.2±0.1 g/cm3

Exact Mass

108.998619

Exposure Limits

NIOSH: IDLH 25 mg/m3

Flash Point

53.3±0.0 °C

Index of Refraction

1.571

LogP

1.27

Melting Point

125-134 °C (decomp)

Molecular Formula

C5H3NS

Molecular Weight

109.149

PSA

52.03000

Storage condition

Flammables area

Vapour Pressure

0.5±0.4 mmHg at 25°C

Water Solubility

Slightly miscible with water.

Safety Information of Thiophene-2-carbonitrile

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of Thiophene-2-carbonitrile

2-Thiophenecarbonitrile has diverse applications across multiple fields:

  • Organic Synthesis: It serves as an intermediate in the synthesis of various organic compounds, particularly in creating functionalized thiophene derivatives.
  • Material Science: The compound is used in developing organic semiconductors and photovoltaic materials due to its electronic properties.
  • Pharmaceutical Chemistry: Its derivatives are explored for potential therapeutic applications, including anticancer agents and fluorescent markers for biological imaging.

Interaction Studies of Thiophene-2-carbonitrile

Studies have focused on understanding how 2-thiophenecarbonitrile interacts with biological macromolecules. For instance, research indicates that certain derivatives can interact with protein aggregates, making them useful for studying neurodegenerative diseases like prion diseases. These interactions highlight the compound's potential in biomedical research.

Biological Activity of Thiophene-2-carbonitrile

Research indicates that 2-thiophenecarbonitrile and its derivatives exhibit various biological activities. Some studies have suggested potential applications in medicinal chemistry, particularly regarding their anticancer properties. The compound's structure allows it to interact with biological targets, although specific mechanisms of action require further investigation.

Physical sample testing spectrum (NMR) of Thiophene-2-carbonitrile

Physical sample testing spectrum (NMR) of Thiophene-2-carbonitrile

Retrosynthesis analysis of Thiophene-2-carbonitrile

  • Route#1

    Cas:1003-09-4
    Cas:55305-43-6
    Cas:1003-31-2
  • Route#2

    Cas:1003-09-4
    Cas:544-92-3
    Cas:1003-31-2
  • Route#3

    Cas:1003-09-4
    Cas:557-19-7
    Cas:1003-31-2