296-41-3

Basic information

• Product Name: 1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE
• Synonyms: 18-ANE-S6;1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE;1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE 97+%;Aids016219;Aids-016219;Nsc295590
• CAS NO: 296-41-3
• Molecular Formula: C₁₂H₂₄S₆
• Molecular Weight: 360.71
• Mol File: 296-41-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 92-94 °C(lit.)
• Boiling Point: 547.2 °C at 760 mmHg
• Flash Point: 296.9 °C
• Appearance: /
• Density: 1.14 g/cm³
• Vapor Pressure: 1.81E-11mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: 1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE(296-41-3)
• EPA Substance Registry System: 1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE(296-41-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 296-41-3(Hazardous Substances Data)

Usage

General Description

1,4,7,10,13,16-Hexathiacyclooctadecane is a chemical compound with the molecular formula C18H36S6. It is a cyclic sulfur compound, composed of a ring of 18 carbon atoms with six sulfur atoms embedded within the structure. 1,4,7,10,13,16-Hexathiacyclooctadecane is known for its high stability and unique structural properties, making it useful in various industrial and scientific applications. It is commonly used as a chelating agent in chemical processes, as well as a building block in the synthesis of complex organic molecules. Additionally, its ability to form stable complexes with various metal ions makes it valuable in the field of coordination chemistry and materials science. Its unique structure and chemical properties make it an intriguing compound with potential for further exploration and application in diverse fields.

InChI:InChI=1/C12H24S6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2

Upstream product

• 3570-55-6 3-thiapentan-1,5-dithiol 
• 106-93-4 ethylene dibromide 
• 25423-55-6 3,6-dithiaoctan-1,8-dithiol 
• 3563-36-8 1,2-bis(2-chloroethylthio)ethane 
• 14440-77-8 3,6,9-trithiaundecane-1,11-diol 
• 420-12-2 thirane 
• 51472-73-2 1,1'-[thiobis(ethylene)dithio]-bis(2-chloroethane) 

Downstream Products

• 75399-01-8 (1,4,7,10,13,16-hexathiacyclooctadecane)silver(I) picrate 
• 33270-88-1 (1,4,7,10,13,16-hexathiacyclooctadecane)nickel(II) picrate 
• 99783-15-0 Cu((CH₂CH₂S)6)⁽²⁺⁾*2((NO₂)3C₆H₂O)^(1-)=Cu((CH₂CH₂S)6)((NO₂)3C₆H₂O)2 

Relevant articles and documents

The catalytic synthesis of thiacrowns from thiiranes by Group VI and VII transition metal carbonyl complexes

The synthesis of thiacrowns by the catalytic ring opening cyclooligomerization of thiirane has been investigated by using some Group VI and Group VII metal carbonyl complexes. The Group VI catalyst precursors were transition metal complexes of the form M(

Crown Thioether Chemistry: Structural and Conformational Studies of Tetrathia-12-crown-4, Pentathia-15-crown-5, and Hexathia-18-crown-6. Implications for Ligand Design

Tetrathia-12-crown-4 (12S4) in the solid state adopts a square conformation with the sulfur atoms at the corners, to yield a structure derived from fusion at the terminal S atoms of two "bracket" units. This macrocycle crystallizes in the monoclinic system, space group Cc, with a = 13.028(7) Angstroem, b = 12.884(5) Angstroem, c = 14.493(7), (β = 108.18(4) deg, and Z = 8.Pentathia-15-crown-5 (15S5) assumes an irregular conformation generated from two bracket units by fusion at one S atom and connection of the remaining two terminal S atoms by a -CH2CH2- linkage.This crown thioether also crystallizes in the monoclinic system, space group P21/n, with a = 16.444(3) Angstroem, b = 5.432(1) Angstroem, c = 18.255(3) Angstroem, β = 115.58(1) deg, and Z = 4.Hexathia-18-crown-6 (18S6) adopts a conformation produced by connection of two bracket units by two -CH2CH2- linkages.It crystallizes in the orthorhombic system, space group Fdd/2, with a = 20.466(1) Angstroem, b = 32.222(3) Angstroem, c = 5.213(4) Angstroem, and Z = 8.Analysis of these structures reveals a pronounced preference for gauche placement at C-S bonds.This preference causes the ubiquity of bracket units and contrasts with the antipathy to gauche placement of the C-O bonds in oxa-crown ethers.This marked difference derives from the difference in C-E bond lenghts, which changes nonbonded 1,4-interactions in both C-C-E-C and E-C-C-E fragments.