Pyridine, 2,2'-dithiobis(ethyleneiminoethyleneoxy)bis(5-bromo-, dihydrochloride

HCID 218814

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Basic information

CAS: 41287-61-0
Standard SMILES: Brc1ccc(OCCNCCSSCCNCCOc2ccc(Br)cn2)nc1.Cl.Cl
InChIKey: RXTQHQMDNHGEEW-UHFFFAOYSA-N
Molecular formula: C18H26Br2Cl2N4O2S2
Average molar mass: 625.3 g/mol
Monoisotopic mass: 621.9241

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminoethyleneoxy)bis(5-bromo-, dihydrochloride
IUPAC: 2-[(5-bromo-2-pyridinyl)oxy]-N-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethylamino]ethyldisulfanyl]ethyl]ethanamine;dihydrochloride

Names & synonyms

Pyridine, 2,2'-dithiobis(ethyleneiminoethyleneoxy)bis(5-bromo-, dihydrochlorideDisulfide, bis((2-(2-(5-bromo-2-pyridyloxy)ethyl)amino)ethyl) dihydrochloride41287-61-0DTXSID501942262,2'-(Dithiobis(ethyleneiminoethyleneoxy))bis(5-bromopyridine) dihydrochlorideRefChem:376482DTXCID60116717N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{2-[(5-bromopyridin-2-yl)oxy]ethan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-61-0
PubChem CID: 218814
DTXSID: DTXSID50194226

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 15
Heavy atoms: 30
Formal charge: 0
Complexity: 357

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