36338-04-2

Basic information

• Product Name: 1,4,7,10,13-PENTATHIACYCLOPENTADECANE
• Synonyms: 1,4,7,10,13-PENTATHIACYCLOPENTADECANE
• CAS NO: 36338-04-2
• Molecular Formula: C₁₀H₂₀S₅
• Molecular Weight: 0
• Mol File: 36338-04-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 476.8°C at 760 mmHg
• Flash Point: 253.5°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 8.55E-09mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: 1,4,7,10,13-PENTATHIACYCLOPENTADECANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7,10,13-PENTATHIACYCLOPENTADECANE(36338-04-2)
• EPA Substance Registry System: 1,4,7,10,13-PENTATHIACYCLOPENTADECANE(36338-04-2)

Safety Data

• Hazardous Substances Data: 36338-04-2(Hazardous Substances Data)

Usage

Structure

Sulfur-containing cyclic compound with 5 sulfur atoms arranged in a ring structure

Aromaticity

Known for its unique aromatic nature

Stability

Known for its stable nature

Applications

Useful for various applications in organic chemistry and material science

Organic synthesis

Potential use in organic synthesis

Building block

Can be used as a building block for complex molecules

Model compound

Serves as a model compound for studying the reactivity and properties of sulfur-containing compounds

Potential applications

May have potential applications in pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C10H20S5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2

Upstream product

• 420-12-2 thirane 
• 3570-55-6 3-thiapentan-1,5-dithiol 
• 95121-77-0 3,6-dithia-1,8-octanediol bimesylate 

Downstream Products

• 148418-38-6 {Ag(C₁₀H₂₀S₅)}⁽¹⁺⁾*{B(C₆F₅)4}^(1-)={Ag(C₁₀H₂₀S₅)}{B(C₆F₅)4} 

Relevant articles and documents

Structures of a Labile Copper Redox Couple: Sterically Constrained Copper(II) and Copper(I) Complexes Formed with a Simple Cyclic Pentathia Ether, 1,4,7,10,13-Pentathiacyclopentadecane

Crystal structures have been resolved at room temperature for the perchlorate salts of the Cu(II) and Cu(I) complexes formed with the quinquedentate macrocycle 1,4,7,10,13-pentathiacyclopentadecane (aneS5).The space groups, lattice constants, and final R factors for these two compounds are as follows.For Cu(II)(aneS5)(CLO4)2: space group P21/c, a = 17.966 (5) Angstroem, b = 9.908 (5) Angstroem, c = 11.230 (6) Angstroem, β = 90.66 (2) deg, Z = 4, R = 0.039, and Rw = 0.051.For Cu(I)(aneS5)(ClO4): space group P21/n, a = 11.354 (7) Angstroem, b = 14.759 (9) Angstroem, c = 11.749 (6) Angstroem, β = 113.16 deg, Z = 4, R = 0.083, and Rw = 0.092.Both of the complexes exist as 1:1 monomers in the crystalline state.The Cu(II) complex has a square-pyramidal geometry with the copper atom situated 0.41 Angstroem above the mean basal plane formed by four of the sulfur donor atoms while the fifth sulfur atom is coordinated apically but bent back by 12.8 deg from the perpendicular due to the steric constraints imposed by the ethylene bridges.The five Cu-S bond lengths are 2.331 (2), 2.315 (2), 2.289 (2), 2.338 (2), and 2.398 (2) Angstroem, with the longest bond being to the apical sulfur.The Cu(I) complex has a distorted tetrahedral geometry which closely approximates the Cu(II) geometry except that one of the Cu-S bonds in the basal plane is broken.The four Cu-S bond lengths in this complex are 2.338 (5), 2.243 (5), 2.245 (5), and 2.317 (5) Angtstroem, with the nonbonded sulfur having two alternative orientations at distances of 3.442 (12) and 3.560 (11) Angstroem from the copper atom.For both complexes the perchlorates are noncoordinating.The relatively minor change in structure which occurs on reducing Cu(II)(aneS5) to Cu(I)(aneS5) implies a relatively small Franck-Condon barrier for this redox couple.This is consistent with the results of kinetic studies on this system which indicate that this couple is more labile in its electron-transfer properties than any other copper-polythia ether or copper-poly(amino)thia ether complexes yet investigated.