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

HCID 218830

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Basic information

CAS: 41287-69-8
Standard SMILES: Brc1ccc(OCCCCCCNCCSSCCNCCCCCCOc2ccc(Br)cn2)nc1.Cl.Cl
InChIKey: DLVULIKDGUJXMV-UHFFFAOYSA-N
Molecular formula: C26H42Br2Cl2N4O2S2
Average molar mass: 737.5 g/mol
Monoisotopic mass: 734.0493

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminohexamethyleneoxy)bis(5-bromo-, dihydrochloride
IUPAC: 6-[(5-bromo-2-pyridinyl)oxy]-N-[2-[2-[6-[(5-bromo-2-pyridinyl)oxy]hexylamino]ethyldisulfanyl]ethyl]hexan-1-amine;dihydrochloride

Names & synonyms

Pyridine, 2,2'-dithiobis(ethyleneiminohexamethyleneoxy)bis(5-bromo-, dihydrochloride2,2'-(Dithiobis(ethyleneiminohexamethyleneoxy))bis(5-bromopyridine) dihydrochloride41287-69-8DTXSID40194230Disulfide, bis((2-(6-(5-bromo-2-pyridyloxy)hexyl)amino)ethyl) dihydrochlorideRefChem:376483DTXCID50116721N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{6-[(5-bromopyridin-2-yl)oxy]hexan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-69-8
PubChem CID: 218830
DTXSID: DTXSID40194230

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 23
Heavy atoms: 38
Formal charge: 0
Complexity: 461

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