Tributylsulfonium Iodide - ≥95% , CAS No.18146-62-8

CAS: 18146-62-8 Cat. No.: T161642 Molecular Weight: 330.31 EC Number: 678-642-1 PubChem CID: 21988031

GRADE & PURITY ≥95%

Synonyms

SCHEMBL396287 | Sulfonium, tributyl-, iodide (1:1) | TRIBUTYLSULFANIUM IODIDE | AS-61782 | Tri-n-butylsulfonium iodide | AKOS015833282 | Tri-N-butylsulfonium iodide 96+% t | Tributylsulfonium iodide | T71961 | T1564 | DTXSID20621231 | TributylsulfoniumIod

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL396287 | Sulfonium, tributyl-, iodide (1:1) | TRIBUTYLSULFANIUM IODIDE | AS-61782 | Tri-n-butylsulfonium iodide | AKOS015833282 | Tri-N-butylsulfonium iodide 96+% t | Tributylsulfonium iodide | T71961 | T1564 | DTXSID20621231 | TributylsulfoniumIod

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCC[S+](CCCC)CCCC.[I-]
• IUPAC Name: tributylsulfanium;iodide
• InChIKey: HUCQSHDLMUWBPS-UHFFFAOYSA-M
• INCHI: 1S/C12H27S.HI/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[S+](CCCC)CCCC.[I-]
• PubChem CID: 21988031
• Molecular Weight: 330.31
• Reaxy-Rn: 3701438

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 Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organic iodide salt - Organic salt - Organosulfur compound - Organic cation - 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

Chemical and Physical Properties

• Sensitivity: Light sensitive, Moisture sensitive
• Melt Point(°C): 93 °C
• Molecular Weight: 330.310 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 330.088 Da
• Monoisotopic Mass: 330.088 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 72.100
• 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. Yang Gao, Biao Hu, Dengxue Li, Zhi Xing, Canqiang Du, Xiaotian Hu, Ting Hu, Yiwang Chen.  (2025)  Steric-Hindrance-Engineered 1D/3D Heterojunction Unlocks Atomic-Level Matched Buried Interface for Efficient Perovskite Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:40552738] [10.1021/acsami.5c07110]