Pyridine, 2,2'-dithiobis(ethyleneiminohexamethyleneoxy)bis(5-chloro-, dihydrochloride

HCID 218832

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 41287-70-1
Standard SMILES: Cl.Cl.Clc1ccc(OCCCCCCNCCSSCCNCCCCCCOc2ccc(Cl)cn2)nc1
InChIKey: WYQWZFORYHRFBW-UHFFFAOYSA-N
Molecular formula: C26H42Cl4N4O2S2
Average molar mass: 648.6 g/mol
Monoisotopic mass: 646.15033

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminohexamethyleneoxy)bis(5-chloro-, dihydrochloride
IUPAC: 6-[(5-chloro-2-pyridinyl)oxy]-N-[2-[2-[6-[(5-chloro-2-pyridinyl)oxy]hexylamino]ethyldisulfanyl]ethyl]hexan-1-amine;dihydrochloride

Names & synonyms

2,2'-(Dithiobis(ethyleneiminohexamethyleneoxy))bis(5-chloropyridine) dihydrochloride41287-70-1Disulfide, bis((2-(6-(5-chloro-2-pyridyloxy)hexyl)amino)ethyl) dihydrochloridePyridine, 2,2'-dithiobis(ethyleneiminohexamethyleneoxy)bis(5-chloro-, dihydrochlorideRefChem:376484DTXSID20961583N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{6-[(5-chloropyridin-2-yl)oxy]hexan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-70-1
PubChem CID: 218832
DTXSID: DTXSID20961583

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 23
Heavy atoms: 38
Formal charge: 0
Complexity: 461

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…