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1,4,7,10,13,16-Hexathiacyclooctadecane, with the molecular formula C18H36S6, is a cyclic sulfur compound characterized by a ring of 18 carbon atoms interspersed with six sulfur atoms. Known for its exceptional stability and distinctive structural attributes, 1,4,7,10,13,16-Hexathiacyclooctadecane serves a variety of roles in industrial and scientific domains. Its capacity to engage in stable interactions with metal ions and function as a chelating agent in chemical processes, along with its utility in the synthesis of intricate organic molecules, underscores its value in coordination chemistry and materials science.

296-41-3

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296-41-3 Usage

Uses

Used in Chemical Processes:
1,4,7,10,13,16-Hexathiacyclooctadecane is used as a chelating agent for its ability to form stable complexes with various metal ions, which is crucial in numerous chemical reactions and processes.
Used in Synthesis of Complex Organic Molecules:
As a building block, 1,4,7,10,13,16-Hexathiacyclooctadecane is utilized in the synthesis of complex organic molecules, contributing to the creation of advanced materials and compounds.
Used in Coordination Chemistry and Materials Science:
1,4,7,10,13,16-Hexathiacyclooctadecane is employed in coordination chemistry and materials science due to its unique structure and chemical properties, which allow for the development of new materials with specific characteristics and applications.
Given the compound's high stability and unique structural properties, it holds promise for further exploration and application across a range of fields, potentially leading to innovative uses and advancements in science and industry.

Check Digit Verification of cas no

The CAS Registry Mumber 296-41-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 2,9 and 6 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 296-41:
(5*2)+(4*9)+(3*6)+(2*4)+(1*1)=73
73 % 10 = 3
So 296-41-3 is a valid CAS Registry Number.
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

296-41-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE

1.2 Other means of identification

Product number -
Other names hexathia-18-crown-6

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:296-41-3 SDS

296-41-3Relevant academic research and scientific papers

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

Adams, Richard D.,Brosius, Kellie M.,Kwon, O.-Sung

, p. 51 - 59 (2007/10/03)

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(

SYNTHESIS OF 15- AND 18-MEMBERED POLYTHIAMACROCYCLIC LIGANDS

Pavlishchuk, V. V.,Strizhak, P. E.

, p. 553 - 555 (2007/10/02)

Reaction of 1,8-dimercapto-3,6-dithioactane with oxa-, aza-. and thiadihaloderivatives under high dilution conditions in the presence of cesium carbonate, which acts as a template for the condensation reaction, produces 15- and 18-membered polythiamacrocyclic ligands in yields greater than 50percent.

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

Wolf, Robert E.,Hartman, JudithAnn R.,Storey, John M. E.,Foxman, Bruce M.,Cooper, Stephen R.

, p. 4328 - 4335 (2007/10/02)

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.

Synthesis and Properties of Some Lanthanoid(III) Perchlorates with Macrocyclic Polythioethers of the -Crown-6 Type. Crystal Structure of Aquadiperchlorato(1,4,10,13-tetraoxa-7,16-dithiacyclo-octadecane)lanthanum(III) Perchlorate

Ciampolini, Mario,Mealli, Carlo,Nardi, Nicoletta

, p. 376 - 382 (2007/10/02)

Some complexes of lanthanoid(III) perchlorates have been prepared with three polythia macrocycles of the -crown-6 type.By using the ligand 1,4,10,13-tetraoxa-7,16-dithiacyclo-octadecane, L1, in methyl cyanide,three series of complexes have been obtained with formulae (i) Ln3*L1*H2O (Ln=La, Ce, or Pr) (ii) Ln3*L1*H2O*xMeCN (Ln=Ce, Pr, Nd, Sm, Eu, Ho, or Yb; x=1.5 or 2), and (iii) Nd3*L1.The crystal and molecular structure of the title complex has been determined by X-ray diffractometric data.The structure has been refined by least-squares techniques to R=0.036 for 4635 observed reflections.The lanthanum(III) ion is ten-co-ordinated to the six donor atoms of L1, to two oxygen atoms of a (1-) ion, to an oxygen atom of a second (1-), and to an oxygen atom of a water molecule.The co-ordination polyhedron can be described as a decatetrahedron.The macrocycles 1,10-dioxa-4,7,13,16-tetrathiacyclo-octadecane, L2, and 1,4,7,10,13,16-hexathiacyclo-octadecane, L3, do not co-ordinate to lanthanoid(III) perchlorates in methyl cyanide but in dichloromethane the complexes Eu3*L2*H2O and Ln3*L3*H2O (Ln=Sm, Eu, or Yb) can be isolated.The i.r. and electronic spectra of all the complexes are discussed.The electron-transfer transitions are consistent with an optical electronegativity value of 2.8 for ligand L1 and 2.7 for L2 and L3.

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