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296-41-3 | 1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE
CAS No: 296-41-3 Catalog No: AG002YVJ MDL No:
Product Description
Catalog Number:
AG002YVJ
Chemical Name:
1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE
CAS Number:
296-41-3
Molecular Formula:
C12H24S6
Molecular Weight:
360.7090
IUPAC Name:
1,4,7,10,13,16-hexathiacyclooctadecane
InChI:
InChI=1S/C12H24S6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChI Key:
HELCSRZMDRYPIJ-UHFFFAOYSA-N
SMILES:
S1CCSCCSCCSCCSCCSCC1
UNII:
6HQF7QSU1C
NSC Number:
295590
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.684g/mol
Monoisotopic Mass:
360.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Redox non-innocence of thioether crowns: elucidation of the electronic structure of the mononuclear Pd(III) complexes [Pd([9]aneS3)2]3+ and [Pd([18]aneS6)]3+. | Inorganic chemistry 20120206 |
| Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure. | Dalton transactions (Cambridge, England : 2003) 20110121 |
| Physical parameters and electron-transfer kinetics of the copper(II/I) complex with the macrocyclic sexadentate ligand [18]aneS6. | Inorganic chemistry 20051128 |
| Mercury-199 NMR studies of thiacrown and related macrocyclic complexes: the crystal structures of [Hg(18S6)](PF6)2 and [Hg(9N3)2](ClO4)2. | Inorganic chemistry 20050808 |
| The role of oxidative stress on the effect of 1,4,7,10,13,16-hexathiacyclooctadecane on copper and zinc toxicity in HepG2 cells. | Human & experimental toxicology 20030201 |
| The effect of hexaaza- and hexathia-macrocyclic ligands on transition metal cytotoxicity in human hepatoma-derived cultured cells. | Human & experimental toxicology 20020801 |
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