Trimethylsulfonium iodide - ≥98% , CAS No.2181-42-2

CAS: 2181-42-2 Cat. No.: T107247 Molecular Weight: 204.07 Beilstein Registry Number: 3555192 EC Number: 218-555-4 PubChem CID: 75127

GRADE & PURITY ≥98%

Synonyms

8-p-Menthen-2-one | trimethyl sulfonium iodide | D92490 | NSC36713 | NSC-36713 | TCMDC-123931 | trimethylsulfanium iodide | Q2453392 | AKOS000121145 | Trimethylsulfoniumiodide | (R)-(?)-N-(2,3-Epoxypropyl)phthalimide | DTXSID30883803 | SnCl2 | F3095-4738

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

8-p-Menthen-2-one | trimethyl sulfonium iodide | D92490 | NSC36713 | NSC-36713 | TCMDC-123931 | trimethylsulfanium iodide | Q2453392 | AKOS000121145 | Trimethylsulfoniumiodide | (R)-(?)-N-(2, 3-Epoxypropyl)phthalimide | DTXSID30883803 | SnCl2 | F3095-4738

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Treatment with strong base yields the dimethylsulfonium methylide which reacts in-situ with the carbonyl group of ketones to form epoxides or allylic alcohols.

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185042
• Canonical Smiles: C[S+](C)C.[I-]
• IUPAC Name: trimethylsulfanium;iodide
• InChIKey: VFJYIHQDILEQNR-UHFFFAOYSA-M
• INCHI: 1S/C3H9S.HI/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[S+](C)C.[I-]
• WGK Germany: 3
• RTECS: WR8750000
• PubChem CID: 75127
• Molecular Weight: 204.07
• Beilstein: 3555192
• Reaxy-Rn: 3555192

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfur compounds
• Alternative Parents: Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organic iodide salt - Organic salt - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfur compounds. These are organic compounds containing a carbon-sulfur bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CHAT Tchem Choline acetylase (63 Activities)

Discover Target: CHAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: souble in Methanol
• Sensitivity: Light sensitive.
• Melt Point(°C): 215-220°C
• Molecular Weight: 204.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 203.947 Da
• Monoisotopic Mass: 203.947 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 8.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yueli Liu, Tonghuan Gao, Zifan Yang, Huixin Zhu, Keqiang Chen, Yunan Bao, Wen Chen.  (2025)  Enhanced Photovoltaic Performance and Stability of CsPbI3 Quantum Dots via Ligand Exchange and Compositional Defect Passivation.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.5c01637]