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

HCID 218816

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Basic information

CAS: 41287-62-1
Standard SMILES: Brc1ccc(OCCCNCCSSCCNCCCOc2ccc(Br)cn2)nc1.Cl.Cl
InChIKey: OWMPDOOBDJGPDB-UHFFFAOYSA-N
Molecular formula: C20H30Br2Cl2N4O2S2
Average molar mass: 653.3 g/mol
Monoisotopic mass: 649.9554

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminotrimethyleneoxy)bis(5-bromo-, dihydrochloride
IUPAC: 3-[(5-bromo-2-pyridinyl)oxy]-N-[2-[2-[3-[(5-bromo-2-pyridinyl)oxy]propylamino]ethyldisulfanyl]ethyl]propan-1-amine;dihydrochloride

Names & synonyms

2,2'-(Dithiobis(ethyleneiminotrimethyleneoxy))bis(5-bromopyridine) dihydrochloride41287-62-1Disulfide, bis((2-(3-(5-bromo-2-pyridyloxy)propyl)amino)ethyl) dihydrochloridePyridine, 2,2'-dithiobis(ethyleneiminotrimethyleneoxy)bis(5-bromo-, dihydrochlorideRefChem:376490DTXSID30961579N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{3-[(5-bromopyridin-2-yl)oxy]propan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-62-1
PubChem CID: 218816
DTXSID: DTXSID30961579

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 32
Formal charge: 0
Complexity: 383

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