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

HCID 218826

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Basic information

CAS: 41287-67-6
Standard SMILES: Brc1ccc(OCCCCCNCCSSCCNCCCCCOc2ccc(Br)cn2)nc1.Cl.Cl
InChIKey: RJEKQCDPXXLTSK-UHFFFAOYSA-N
Molecular formula: C24H38Br2Cl2N4O2S2
Average molar mass: 709.4 g/mol
Monoisotopic mass: 706.018

Names & identifiers

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

Names & synonyms

2,2'-(Dithiobis(ethyleneiminopentamethyleneoxy))bis(5-bromopyridine) dihydrochloride41287-67-6Disulfide, bis((2-(5-(5-bromo-2-pyridyloxy)pentyl)amino)ethyl) dihydrochloridePyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(5-bromo-, dihydrochlorideRefChem:376488DTXSID00961581N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{5-[(5-bromopyridin-2-yl)oxy]pentan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-67-6
PubChem CID: 218826
DTXSID: DTXSID00961581

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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