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

HCID 218834

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Basic information

CAS: 41287-71-2
Standard SMILES: Brc1ccc(OCCCCCCCCCCNCCSSCCNCCCCCCCCCCOc2ccc(Br)cn2)nc1.Cl.Cl
InChIKey: RYROWNOHCUSOKT-UHFFFAOYSA-N
Molecular formula: C34H58Br2Cl2N4O2S2
Average molar mass: 849.7 g/mol
Monoisotopic mass: 846.1745

Names & identifiers

Preferred name: Pyridine, 2,2'-dithiobis(ethyleneiminodecamethyleneoxy)bis(5-bromo-, dihydrochloride
IUPAC: 10-[(5-bromo-2-pyridinyl)oxy]-N-[2-[2-[10-[(5-bromo-2-pyridinyl)oxy]decylamino]ethyldisulfanyl]ethyl]decan-1-amine;dihydrochloride

Names & synonyms

2,2'-(Dithiobis(ethyleneiminodecamethyleneoxy))bis(5-bromopyridine) dihydrochloride41287-71-2Disulfide, bis((2-(10-(5-bromo-2-pyridyloxy)decyl)amino)ethyl) dihydrochloridePyridine, 2,2'-dithiobis(ethyleneiminodecamethyleneoxy)bis(5-bromo-, dihydrochlorideRefChem:376481DTXSID80961584N,N'-[Disulfanediyldi(ethane-2,1-diyl)]bis{10-[(5-bromopyridin-2-yl)oxy]decan-1-amine}--hydrogen chloride (1/2)

Database identifiers

CAS: 41287-71-2
PubChem CID: 218834
DTXSID: DTXSID80961584

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 31
Heavy atoms: 46
Formal charge: 0
Complexity: 568

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