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

CAS: 2181-42-2 Cat. No.: T107247 Peso molecular: 204.07 Beilstein Registry Number: 3555192 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185042
• Sonrisas canónicas: 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
• Isómeros SMILES: C[S+](C)C.[I-]
• WGK Alemania: 3
• RTECS: WR8750000
• PubChem CID: 75127
• Peso molecular: 204.07
• Beilstein: 3555192
• Reaxy-Rn: 3555192

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

CHAT Tchem Choline acetylase (63 Activities)

Discover Target: CHAT

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: souble in Methanol
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 215-220°C
• Peso molecular: 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

Referencias

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]