MolGraphChemical Intelligence
Active Chemical RecordCatalog PreviewCatalog ready

2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid

CAS 299198-23-5Formula C10H7F3N2O2SMW 276.24PubChem 676114

This compound is a pyridine derivative featuring a trifluoromethyl group, a cyano group, and a thioglycolic acid moiety. It is primarily intended for research and development applications, particularly in synthetic organic chemistry and early-stage drug discovery.

Loading RDKit molecule structure...
InChIKey: ZDUJNJUCHBLERY-UHFFFAOYSA-NC10H7F3N2O2S | MW 276.24

Chemical Identity

Molecular Formula

C10H7F3N2O2S

Molecular Weight

276.24 g/mol

Exact Mass

276.018033

PubChem CID

676114

IUPAC Name

2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid

SMILES String

Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)O)n1

Names & Synonyms

{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]thio}acetic acid{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid([3-CYANO-6-METHYL-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]THIO)ACETIC ACID{[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetic acid2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetic acid
Show all synonyms
2-{[3-CYANO-6-METHYL-4-(TRIFLUOROMETHYL)-2-PYRIDYL]SULFANYL}ACETIC ACIDHMS1604H202-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acidAG-205/12759020AG-205/33139017Z666126412-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridylthio]acetic acid2-[[3-Cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}aceticacid
External Identifiers
MFCD00741429DTXSID901157423STK667970AKOS000118473ST055526DB-361787CS-0225121EN300-12281SR-01000507185SR-01000507185-1

Catalog Overview

2-{[3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid is an organic compound with the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its structure features a pyridine core substituted with a cyano group, a methyl group, a trifluoromethyl group, and a sulfanylacetic acid moiety. This chemical is categorized within the research-oriented chemical scaffold, indicating its potential utility in medicinal chemistry research, medicinal chemistry research, or as a versatile building block for synthesizing more complex molecules. It is provided for Research Use Only (RUO).

Use Context

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

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline powder

Physical State

solid

Melting Point

145.0 °C

Boiling Point

308.0 °C

Density

1.5 g/cm³

Water Solubility

soluble

Flash Point

193.6 °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 with appropriate personal protective equipment (PPE), including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Ensure adequate ventilation or use a fume hood to prevent inhalation of dust or vapors. Avoid direct contact with skin and eyes. In case of exposure, rinse affected areas thoroughly with water and seek medical attention if irritation persists. Store in a cool, dry, and well-ventilated area, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for comprehensive safety information before handling this product.

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.