MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

4-Methyl-6-(perfluoropropyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile

CAS 832738-24-6Formula C10H5F7N2SMW 318.22PubChem 17024666

4-Methyl-6-(perfluoropropyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS: 832738-24-6) is a fluorinated pyridine derivative with a molecular formula of C10H5F7N2S and a molecular weight of 318.22. Classified as 'druglike_bioactive_like', this compound is of interest in synthetic organic chemistry as a potential intermediate or scaffold for developing novel research compounds.

Loading RDKit molecule structure...
InChIKey: ITMIFEMZYNEALI-UHFFFAOYSA-NC10H5F7N2S | MW 318.22

Chemical Identity

Molecular Formula

C10H5F7N2S

Molecular Weight

318.22 g/mol

Exact Mass

318.006166

PubChem CID

17024666

IUPAC Name

6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

SMILES String

Cc1cc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c(=S)c1C#N

Names & Synonyms

6-(heptafluoropropyl)-4-methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile2-Mercapto-4-methyl-6-(perfluoropropyl)nicotinonitrile6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2-thioxo-1H-pyridine-3-carbonitrileC10H5F7N2S6-(heptafluoropropyl)-4-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Show all synonyms
6-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,2-dihydro-4-methyl-2-thioxo-3-pyridinecarbonitrile6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2-thioxohydropyridine-3-carbonitr ile6-(1,1,2,2,3,3,3-HEPTAFLUOROPROPYL)-4-METHYL-2-THIOXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
External Identifiers
starbld0025401DTXSID601124065MFCD05667145SBB025702STK312577AKOS000306099AKOS005168104CS-0280644EN300-231762

Catalog Overview

4-Methyl-6-(perfluoropropyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is a complex organic compound featuring a pyridine core. Its structure includes a methyl group, a perfluoropropyl chain, a thioxo group, and a carbonitrile group. The presence of the heptafluoropropyl moiety introduces significant fluorine content, which can impart unique physicochemical properties such as increased lipophilicity, metabolic stability, and altered electronic characteristics. This makes it a valuable scaffold or building block in synthetic organic chemistry, particularly for researchers exploring novel compounds with 'research-oriented' or...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

4-Methyl-6-(perfluoropropyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is a complex organic compound featuring a pyridine core. Its structure includes a methyl group, a perfluoropropyl chain, a thioxo group, and a carbonitrile group. The presence of the heptafluoropropyl moiety introduces significant fluorine content, which can impart unique physicochemical properties such as increased lipophilicity, metabolic stability, and altered electronic characteristics. This makes it a valuable scaffold or building block in synthetic organic chemistry, particularly for researchers exploring novel compounds with 'research-oriented' or 'research-oriented' properties.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

175.0 °C

Boiling Point

319.0 °C

Density

1.57 g/cm³

Water Solubility

7.41 × 10⁻³ mol/L

Flash Point

123.4 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle 4-Methyl-6-(perfluoropropyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or a chemical fume hood to avoid inhalation. Prevent skin and eye contact, and do not ingest. Always consult the Safety Data Sheet (SDS) for comprehensive hazard information and safe handling procedures specific to this chemical.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related products and analog discovery will be available as catalog graph data is expanded.