Chemical Identity and Properties

S-(Difluoromethyl) benzenesulfonothioate (SKU: B1530087) belongs to the class of sulfonothioate reagents and serves as an electrophilic source of the difluoromethylthio (–SCHF₂) group. The compound features a benzenesulfonyl moiety coupled to a difluoromethylthio unit, making it an effective electrophilic difluoromethylthiolation (DFMT) agent.

The –SCHF₂ group is a bioisostere of –SCF₃ and –OH and has attracted significant interest in medicinal chemistry and agrochemical research due to its ability to modulate lipophilicity, metabolic stability, and membrane permeability of drug candidates. The difluoromethyl hydrogen also participates in hydrogen-bond donor interactions, adding to its pharmacological relevance.

Note: Precise physicochemical data (molecular weight, melting point, purity specification) for this specific lot should be confirmed from the Certificate of Analysis (CoA) supplied with SKU B1530087.

Storage and Stability Guidelines

To preserve reagent integrity, observe the following storage practices:

• Temperature: Store at the temperature specified on the product label or CoA (typically 2–8 °C or at room temperature in a sealed container; confirm from product documentation).
• Moisture: Keep the container tightly closed and protect from atmospheric moisture. Sulfonothioate reagents may be susceptible to hydrolysis under prolonged exposure to humidity.
• Light: Store away from direct light sources if photosensitivity is indicated on the label.
• Incompatibilities: Keep away from strong bases, strong oxidizers, and reducing agents. Consult the Safety Data Sheet (SDS) for a full incompatibility list.
• Container integrity: Always reseal immediately after use. Consider inert-atmosphere (N₂ or Ar) storage for opened containers where moisture sensitivity is a concern.

Review flag: Specific storage temperature and shelf-life data should be confirmed from the product CoA and SDS for B1530087.

Handling, Safety, and Waste Disposal

Personal Protective Equipment (PPE): Always wear chemically resistant gloves (nitrile or equivalent), safety glasses or goggles, and a laboratory coat when handling S-(difluoromethyl) benzenesulfonothioate. A face shield is recommended when handling larger quantities.

Ventilation: All manipulations should be carried out inside a properly functioning chemical fume hood to avoid inhalation of vapors or dust.

Skin and eye contact: In case of contact, flush immediately with copious amounts of water for at least 15 minutes and seek medical attention. Refer to the SDS for first-aid details.

Spill management: Contain spills with inert absorbent material (e.g., vermiculite or dry sand). Avoid generating dust. Place collected material in a labelled waste container for disposal.

Waste disposal: Dispose of waste in accordance with local, regional, and national regulations for organo-sulfur fluorinated compounds. Do not dispose of down the drain without confirmed regulatory compliance. Consult your institution's Environmental Health and Safety (EHS) office.

Review flag: GHS hazard classification and specific first-aid measures must be verified from the official SDS for B1530087 before use.

Application in Difluoromethylthiolation Chemistry

S-(Difluoromethyl) benzenesulfonothioate functions as an electrophilic –SCHF₂ transfer reagent. Its primary utility lies in the direct introduction of the difluoromethylthio group onto carbon- or heteroatom-nucleophile-bearing substrates.

Typical substrate scope (textbook-level, general for electrophilic DFMT reagents of this class):

• Carbon nucleophiles: stabilized carbanions, enolates, and organometallic species.
• Heteroatom nucleophiles: thiols, amines, and related nucleophiles under appropriate base conditions.

Reaction conditions: Electrophilic difluoromethylthiolation reactions of this reagent class are commonly conducted in polar aprotic solvents (e.g., DMF, MeCN, THF) in the presence of a base (e.g., Et₃N, Cs₂CO₃) at ambient or mildly elevated temperatures. Specific optimized conditions for B1530087 should be developed by the end user and verified against primary literature.

Advantages of the –SCHF₂ motif:

• Enhanced metabolic stability relative to –SMe and –SCF₃ analogues in some drug scaffolds.
• Tunable lipophilicity (logP modulation).
• Hydrogen-bond donor capability via the CHF₂ hydrogen.

Review flag: Specific yields, substrate scope tables, and reaction conditions for B1530087 are not available in the source material. All application claims here are general textbook-level knowledge for this reagent class; researchers should consult primary literature for validated protocols.

Quality, Purity, and Ordering Information

S-(Difluoromethyl) benzenesulfonothioate is available from Aladdin Scientific under SKU B1530087. Each lot is supplied with a Certificate of Analysis (CoA) confirming identity, purity, and lot-specific data.

Quality verification upon receipt:

• Inspect the container for damage or unusual appearance before use.
• Verify lot number and purity against the CoA.
• Characterize the reagent by ¹H NMR or ¹⁹F NMR if purity confirmation is required for sensitive applications.

Ordering: Contact Aladdin Scientific or your regional distributor for pricing, pack sizes, and availability. For bulk or custom requirements, reach out to the Aladdin Scientific technical sales team.

Returns and quality issues: If the product does not meet specifications on the CoA, contact Aladdin Scientific customer service with the lot number and a description of the observed discrepancy within the applicable return window per Aladdin Scientific's returns and refunds policy.