281298
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:
Molecular Weight:
296.58
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
InChI
1S/C12H24S4/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h1-12H2
SMILES string
C1CSCCCSCCCSCCCSC1
InChI key
LIVCAIOLNUODDU-UHFFFAOYSA-N
assay
97%
mp
57-58 °C (lit.)
functional group
thioether
General description
1,5,9,13-Tetrathiacyclohexadecane is a macrocyclic tetrathioether and forms complexes with heavy metals via reaction with heavy metal salts. 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+.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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