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

HCID 218828

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Basic information

CAS: 41287-68-7
Standard SMILES: Cl.Cl.Clc1ccc(OCCCCCNCCSSCCNCCCCCOc2ccc(Cl)cn2)nc1
InChIKey: PRVPQDZPPCTAMN-UHFFFAOYSA-N
Molecular formula: C24H38Cl4N4O2S2
Average molar mass: 620.5 g/mol
Monoisotopic mass: 618.11903

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(5-chloro-, dihydrochloride
IUPAC: 5-[(5-chloro-2-pyridinyl)oxy]-N-[2-[2-[5-[(5-chloro-2-pyridinyl)oxy]pentylamino]ethyldisulfanyl]ethyl]pentan-1-amine;dihydrochloride

Names & synonyms

NSC 1161792,2'-(Dithiobis(ethyleneiminopentamethyleneoxy))bis(5-chloropyridine) dihydrochlorideDisulfide, bis((2-(5-(5-chloro-2-pyridyloxy)pentyl)amino)ethyl) dihydrochloridePyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(5-chloro-, dihydrochloride41287-68-71-Pentanamine, N,N'-(dithiodi-2,1-ethanediyl)bis(5-((5-chloro-2-pyridinyl)oxy)-, dihydrochlorideRefChem:3764891-Pentanamine, N,N'-(dithiodi-2,1-ethanediyl)bis(5-((5-chloro-2-pyridinyl)oxy)-, dihydrochloride (9CI)

Database identifiers

CAS: 41287-68-7
PubChem CID: 218828

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 21
Heavy atoms: 36
Formal charge: 0
Complexity: 435

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