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
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External Identifiers
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...
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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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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.
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