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Trimethylsulfonium structure
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Trimethylsulfonium

TL;DR: Trimethylsulfonium (CAS 676-84-6) is a chemical compound with molecular formula C3H9S+ and molecular weight 77.042496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

trimethylsulfanium

Also Known As: Trimethylsulfonium, trimethylsulfanium, trimethyl sulfonium, Glyphosat-trimesium, Trimethylsulphonium chloride

CAS Number
676-84-6
Molecular Formula
C3H9S+
Molecular Weight
77.042496 g/mol
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Application Areas

Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1503 patents) Analytical Reagents (10 patents) Biotechnology (48 patents) Catalysts (33 patents) Coatings & Adhesives (53 patents)

Technical Specifications

Molecular FormulaC3H9S+
Molecular Weight77.042496 g/mol
XLogP0.9
Topological Polar Surface Area (TPSA)1.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors0
Rotatable Bonds0
Exact Mass77.042496 Da
Heavy Atoms4
Complexity8.0
SMILESC[S+](C)C
InChIKeyNRZWQKGABZFFKE-UHFFFAOYSA-N

Product Description

Applications: Trimethylsulfonium is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trimethylsulfonium (CAS 676-84-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Trimethylsulfonium is a agrochemical intermediate identified by CAS number 676-84-6 and the molecular formula C3H9S+ and a molecular weight of 77.04 g/mol. It is also known as Trimethylsulfonium and trimethylsulfanium.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Trimethylsulfonium

XLogP
0.9
TPSA (Topological Polar Surface Area)
1.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Rotatable Bonds
0
Heavy Atoms
4
Complexity
8.0
Exact Mass
77.042496
Monoisotopic Mass
77.042496
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Trimethylsulfonium

The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylsulfonium. With a topological polar surface area (TPSA) of 1.0 Ų, Trimethylsulfonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylsulfonium has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Trimethylsulfonium?

The CAS number of Trimethylsulfonium is 676-84-6.

What is the molecular formula of Trimethylsulfonium?

The molecular formula of Trimethylsulfonium is C3H9S+.

What is the molecular weight of Trimethylsulfonium?

The molecular weight of Trimethylsulfonium is 77.042496 g/mol.

What are the applications of Trimethylsulfonium?

Trimethylsulfonium is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trimethylsulfonium...

Where can I buy Trimethylsulfonium?

You can request a quote for Trimethylsulfonium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Trimethylsulfonium?

Yes, CoreyChem provides custom synthesis services for Trimethylsulfonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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