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281298

Sigma-Aldrich

1,5,9,13-Tetrathiacyclohexadecane

97%

Synonym(s):

16-Ane-S4

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About This Item

Empirical Formula (Hill Notation):
C12H24S4
CAS Number:
295-91-0
Molecular Weight:
296.58
MDL number:
MFCD00010830
UNSPSC Code:
12352100
PubChem Substance ID:
24856854
NACRES:
NA.22

assay

97%

mp

57-58 °C (lit.)

functional group

thioether

SMILES string

C1CSCCCSCCCSCCCSC1

InChI

1S/C12H24S4/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h1-12H2

InChI key

LIVCAIOLNUODDU-UHFFFAOYSA-N

General description

1,5,9,13-Tetrathiacyclohexadecane is a macrocyclic tetrathioether and forms complexes with heavy metals via reaction with heavy metal salts[1]. 1,5,9,13-Tetrathiacyclohexadecane ([16]aneS4) reacts with [Ni(OH2)6][BF4]2 in MeNO2 in the presence of acetic anhydride to yield [Ni([16]aneS4)(OH2)2]2+[2].

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
02707BW

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Synthesis and complexation studies of mesocyclic and macrocyclic polythioethers. 8. Synthesis and x-ray crystal structures of heavy-metal complexes of 1, 5, 9, 13-tetrathiacyclohexadecane.
Setzer WN, et al.
Inorganic Chemistry, 30(19), 3652-3656 (1991)
Nickel thioether chemistry: syntheses of nickel (II) complexes of tetra-and penta-thia macrocyclic ligands.
Blake AJ, et al.
J. Chem. Soc., Dalton Trans., 19, 2803-2808 (1992)

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