Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dibromo-, dihydrochloride

HCID 218820

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Basic information

CAS: 41287-64-3
Standard SMILES: Brc1cnc(OCCCCCNCCSSCCNCCCCCOc2ncc(Br)cc2Br)c(Br)c1.Cl.Cl
InChIKey: GOATZYAVXMPVQD-UHFFFAOYSA-N
Molecular formula: C24H36Br4Cl2N4O2S2
Average molar mass: 867.2 g/mol
Monoisotopic mass: 861.83902

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dibromo-, dihydrochloride
IUPAC: 5-[(3,5-dibromo-2-pyridinyl)oxy]-N-[2-[2-[5-[(3,5-dibromo-2-pyridinyl)oxy]pentylamino]ethyldisulfanyl]ethyl]pentan-1-amine;dihydrochloride

Names & synonyms

Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dibromo-, dihydrochlorideDisulfide, bis((2-(5-(3,5-dibromo-2-pyridyloxy)pentyl)amino)ethyl) dihydrochloride41287-64-3DTXSID101942272,2'-(Dithiobis(ethyleneiminopentamethyleneoxy))bis(3,5-dibromopyridine) dihydrochlorideRefChem:376485DTXCID20116718N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{5-[(3,5-dibromopyridin-2-yl)oxy]pentan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-64-3
PubChem CID: 218820
DTXSID: DTXSID10194227

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 21
Heavy atoms: 38
Formal charge: 0
Complexity: 493

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